Reactivity of a Series of Isostructural Cobalt Pincer Complexes with CO 2, CO, and H +
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1 Supporting Information Reactivity of a Series of Isostructural Cobalt Pincer Complexes with CO 2, CO, and H + David W. Shaffer, Samantha I. Johnson,, Arnold L. Rheingold, Joseph W. Ziller, William A. Goddard, III,, Robert J. Nielsen,, and Jenny Y. Yang *, Department of Chemistry, University of California, Irvine, 1102 Natural Sciences 2, Irvine, California 92697, United States Joint Center for Artificial Photosynthesis, California Institute of Technology, Pasadena, California 91125, United States Department of Chemistry, California Institute of Technology, Pasadena, California 91125, United States Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093, United States Table S1. X-ray Diffraction Data Collection and Refinement Parameters... S2 Figure S1. ORTEP diagram of [(P C N C P)Co(NCCH 3 )(BF 4 )][BF 4 ] (1a)... S3 Figure S2. Cyclic voltammograms of the first reductions of [(P E N E P)Co(NCCH 3 ) 2 ][BF 4 ] 2 (E = C, 1a; N, 1b; O, 1c) under N 2 at various scan rates.... S3 Figure S3. Cyclic voltammograms of the second reductions of [(P E N E P)Co(NCCH 3 ) 2 ][BF 4 ] 2 (E = C, 1a; N, 1b; O, 1c) under N 2 at various scan rates.... S4 Figure S4. Cyclic voltammograms of the first reductions of [(P E N E P)Co(NCCH 3 ) 2 ][BF 4 ] 2 (E = C, 1a; N, 1b; O, 1c) under CO 2 at various scan rates.... S4 Figure S5. Cyclic voltammograms of 8 mm [HNEt 3 ][BF 4 ] alone in CH 3 CN with 0.20 M Bu 4 NPF 6 at a glassy carbon electrode and with 1 mm [(P C N C P)Co(NCCH 3 ) 2 ][BF 4 ] 2 under 1 atm CO S5 Isolation of Proposed [(P C N C P)Co(CO)][BF 4 ].... S5 Figure S6. Cyclic voltammograms of the first reduction of [(P C N C P)Co(NCCH 3 ) 2 ][BF 4 ] 2 (1a) in CH 3 CN upon sequential addition of increasingly strong acids.... S6 Figure S7. 1 H NMR spectrum of [(P C N C P)Co(NCCH 3 )][BF 4 ] (2a) in CD 3 CN.... S7 Figure S8. 1 H NMR spectrum of [(P N N N P)Co(NCCH 3 )][BF 4 ] (2b) in CD 3 CN.... S8 Figure S9. 1 H NMR spectrum of [(P O N O P)Co(NCCH 3 )][BF 4 ] (2c) in CD 3 CN.... S9 Figure S10. ORTEP diagram of [(P C N C P)Co(NCCH 3 )][BF 4 ] (2a).... S10 Figure S11. Spin density plot of [(P C N C P)Co(NCCH 3 ) 2 ] S10 Table S2. Calculated geometries of Co complexes by DFT.... S10 Table S3. Calculations for DFT energies.... S46 S1
2 Table S1. X-ray Diffraction Data Collection and Refinement Parameters [(P C N C P)Co(NCCH 3 ) (BF 4 )][BF 4 ] (1a) [(P C N C P)Co(NCC H 3 ) 2 ][BPh 4 ] 2 (1a ) [(P N N N P)Co(CH 3 CN) 2 ] (BF 4 ) 2 (1b) [(P C N C P)Co(NCCH 3 )] [BF 4 ] (2a) [(P N N N P)Co(NCCH 3 )] [BF 4 ] (2b) Empirical formula Formula weight Crystal system Space group C 25 H 46 B 2 CoF 8 N 2 P 2 C 77 H 92 B 2 CoN 4 P 2 C 27 H 50 B 2 CoF 8 N 6 P 2 C 26 H 46 BCoF 4 NP 2 C 23 H 44 BCoF 4 N 4 P Monoclinic Triclinic Monoclinic Triclinic Orthorhombic C2/c P1 P2 1 /n P1 Pnma a / Å (6) (8) (4) (18) (2) b / Å (19) (8) (9) (2) (3) c / Å (4) (12) (5) (5) (4) α / deg (3) (19) 90 β / deg (4) (3) (10) (17) 90 γ / deg (3) (17) 90 V / Å (2) (3) (2) (16) 11655(3) Z Refl. Collected Indep. Refl R1 (I > 2σ) a wr2 (all data) b a R1 = F o F c F o. b wr2 = { [w(f o 2 F c 2 ) 2 ] [w(f o 2 ) 2 ]} 1/2. S2
3 Figure S1. ORTEP diagram of [(P C N C P)Co(NCCH 3 )(BF 4 )][BF 4 ] (1a). Ellipsoids are shown at 50% probability. Hydrogen atoms and outer-sphere BF 4 anion have been omitted for clarity. I ν 1/2 / A s 1/2 mv 1/2 1a (N 2 ) 1b (N 2 ) 25 mv/s 50 mv/s 100 mv/s 200 mv/s 400 mv/s 800 mv/s 1600 mv/s 1c (N 2 ) E / V vs FeCp +/ E / V vs FeCp 2 +/ E / V vs FeCp 2 +/0 Figure S2. Cyclic voltammograms of the first reductions of [(P E N E P)Co(NCCH 3 ) 2 ][BF 4 ] 2 (E = C, 1a, left; N, 1b, middle; O, 1c, right) under N 2 at various scan rates. Current is normalized by square-root of scan rate. 1.0 mm analyte in CH 3 CN with 0.20 M Bu 4 NBF 4. Arrows indicate the scan direction and the position of the bulk material. S3
4 1a (N 2 ) 1b (N 2 ) 1c (N 2 ) I ν 1/2 / A s 1/2 mv 1/ mv/s 25 mv/s 50 mv/s 100 mv/s 200 mv/s 400 mv/s 800 mv/s 1600 mv/s E / V vs FeCp +/ E / V vs FeCp +/ E / V vs FeCp 2 +/0 Figure S3. Cyclic voltammograms of the second reductions of [(P E N E P)Co(NCCH 3 ) 2 ][BF 4 ] 2 (E = C, 1a, left; N, 1b, middle; O, 1c, right) under N 2 at various scan rates. Current is normalized by square-root of scan rate. 1.0 mm analyte in CH 3 CN with 0.20 M Bu 4 NBF 4. Arrows indicate the scan direction. I ν 1/2 / A s 1/2 mv 1/ mv/s 25 mv/s 50 mv/s 100 mv/s 200 mv/s 400 mv/s 800 mv/s 1600 mv/s 1a (CO ) 1b (CO ) 1c (CO ) E / V vs FeCp +/ E / V vs FeCp 2 +/ E / V vs FeCp 2 +/0 Figure S4. Cyclic voltammograms of the first reductions of [(P E N E P)Co(NCCH 3 ) 2 ][BF 4 ] 2 (E = C, 1a, left; N, 1b, middle; O, 1c, right) under CO 2 at various scan rates. Current is normalized by square-root of scan rate. 1.0 mm analyte in CH 3 CN with 0.20 M Bu 4 NBF 4. Arrows indicate the scan direction and the position of the bulk material. S4
5 I / ma E / V vs FeCp +/0 2 Figure S5. Cyclic voltammograms of 8 mm [HNEt 3 ][BF 4 ] alone in CH 3 CN with 0.20 M Bu 4 NPF 6 at a glassy carbon electrode (dotted black line) and with 1 mm [(P C N C P)Co(NCCH 3 ) 2 ][BF 4 ] 2 (1a) under 1 atm CO 2 (solid red line). Isolation of Proposed [(P C N C P)Co(CO)][BF 4 ]. A dark orange solution of 1a (108.3 mg, μmol) in 4 ml THF and 1 ml CH 3 CN was frozen, and then solid KC 8 (22.0 mg, μmol) was added to the just-thawed solution. After stirring 1.5 h, 5 ml diethyl ether was added to the dark green solution to promote precipitation of KBF 4 and the suspension was filtered. The resulting solution of 2a was freeze-pump-thawed two times, then stirred under 1 atm CO for 1 h, resulting in an orange solution. Removal of the solvent in vacuo provided a brown solid, which was washed with diethyl ether, filtered, and dried in vacuo (yield 82.0 mg). 1 H NMR (CD 3 CN) δ/ppm: 7.87 (t, 3 J HH = 7.8 Hz, 1H, aryl H), 7.49 (d, 3 J HH = 7.8 Hz, 2H, aryl H), 3.85 (vt, 4H, CH 2 ) 1.43 (vt, 36H, t Bu). 13 C{ 1 H} NMR (126 MHz, CD 3 CN) δ/ppm: (t, 2 J CP = 7.2 Hz), 141.9, (t, 3 J CP = 5.3 Hz), 36.6 (t, 1 J CP = 9.8 Hz), 35.1 (t, 2 J CP = 8.3 Hz), 29.4 (br t). 31 P{ 1 H} NMR (162 MHz, CD 3 CN) δ/ppm: 86.5 (br s, P t Bu 2 ). IR (solid) υ max /cm 1 : 1918 (C O), 1875 (weak). IR (CH 3 CN with 0.20 M Bu 4 NBF 4 ) υ max /cm 1 : 1920 (C O). S5
6 I / mv I / mv I / mv I / mv a + 10 [HDBU][BF 4 ] a + 10 [HDBU][BF 4 ] + 10 [HNEt 3 ][BF 4 ] E / V vs FeCp +/ E / V vs FeCp +/ a + 10 [HDBU][BF 4 ] + 10 [HNEt 3 ][BF 4 ] + 1 [PhNH 3 ][BF 4 ] E / V vs FeCp +/ a + 10 [HDBU][BF 4 ] [HNEt 3 ][BF 4 ] + 1 [PhNH 3 ][BF 4 ] + 1 [HDMF][OTf] E / V vs FeCp +/0 2 Figure S6. Cyclic voltammograms of the first reduction of 1 mm [(P C N C P)Co(NCCH 3 ) 2 ][BF 4 ] 2 (1a) in CH 3 CN with 0.20 M Bu 4 NPF 6 upon sequential addition of increasingly strong acids. S6
7 CH3CN/CD3CN Figure S7. 1 H NMR spectrum of [(P C N C P)Co(NCCH 3 )][BF 4 ] (2a) in CD 3 CN. S7
8 CH3CN/CD3CN Figure S8. 1 H NMR spectrum of [(P N N N P)Co(NCCH 3 )][BF 4 ] (2b) in CD 3 CN. S8
9 C6H6 CH3CN/CD3CN Figure S9. 1 H NMR spectrum of [(P O N O P)Co(NCCH 3 )][BF 4 ] (2c) in CD 3 CN. S9
![Figure S10. ORTEP diagram of one of four [(P C N C P)Co(NCCH 3 )][BF 4 ] (2a) molecules in the asymmetric unit from a low-quality X-ray structure.](/docs-images/93/111574347/images/10-1.jpg "Isotropic thermal parameters were used in the refinement. Hydrogen atoms (except CH 2 -) and outer-sphere BF 4 anion have been omitted for clarity. Figure S11.")
10 Figure S10. ORTEP diagram of one of four [(P C N C P)Co(NCCH 3 )][BF 4 ] (2a) molecules in the asymmetric unit from a low-quality X-ray structure. Isotropic thermal parameters were used in the refinement. Hydrogen atoms (except CH 2 -) and outer-sphere BF 4 anion have been omitted for clarity. Figure S11. Spin density plot of [(P C N C P)Co(NCCH 3 ) 2 ] 0. Two upward spins on the metal are paired with a downward spin on the pyridine ring, creating a broken-symmetry doublet. Table S2. Calculated geometries of Co complexes by DFT. [(P O N O P)Co II (NCCH 3 ) 2 ] 2+ Co P P O C C S10
11 H C H C H C N O C C H H H C H H H C H H H C C H H H C H H H C H H H C C H H H C H H H C H H S11
12 H C C H H H C H H H C H H H N C C H H H N C C H H H [(P O N O P)Co II (NCCH 3 )] + Co P P O C C H C H C H C N O C C H H S12
13 H C H H H C H H H C C H H H C H H H C H H H C C H H H C H H H C H H H C C H H H C H H H C H S13
14 H H N C C H H H [(P O N O P)Co II (NCCH 3 )CO 2 ] 2+ Co N C C C C C H H H O O P P C C C C C H H H C H H H C H H H C H H H C H S14
15 H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H N C C H H H C O O [(P O N O P)Co I (NCCH 3 ) 2 ] + Co P P O C S15
16 C H C H C H C N O C C H H H C H H H C H H H C C H H H C H H H C H H H C C H H H C H H H C H S16
17 H H C C H H H C H H H C H H H N C C H H H N C C H H H [(P O N O P)Co I (NCCH 3 )] + Co P P O C C H C H C H C N O C C H S17
18 H H C H H H C H H H C C H H H C H H H C H H H C C H H H C H H H C H H H C C H H H C H H H C S18
19 H H H N C C H H H [(P O N O P)Co III (NCCH 3 ) 2 H] 2+ Co N C C C C C H H H O O P P C C C C C H H H C H H H C H H H C H H H C S19
20 H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H N C C H H H H N C C H H H [(P O N O P)Co I (NCCH 3 )CO 2 ] + S20
21 Co N C C C C C H H H O O P P C C C C C H H H C H H H C H H H C H H H C H H H C H H H C H H H S21
22 C H H H C H H H C H H H C H H H C H H H N C C H H H C O O (P O N O P)Co 0 (NCCH 3 ) 2 (N bound) Co P P O C C H C H C H C N O C S22
23 C H H H C H H H C H H H C C H H H C H H H C H H H C C H H H C H H H C H H H C C H H H C H H S23
24 H C H H H N C C H H H N C C H H H (P O N O P)Co II (η 2 -NCCH 3 ) 2 (C bound) Co N C C C C C H H H O O P P C C C C C H H H C H H H C S24
25 H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C80 Co P N N81 C Co P C82 C Co N H83 C C Co H84 C C H H85 C C H S25
26 (P O N O P)Co 0 (NCCH 3 )CO 2 Co N C C C C C H H H O O P P C C C C C H H H C H H H C H H H C H H H C H H H C H H H C H H S26
27 H C H H H C H H H C H H H C H H H C H H H N C C H H H C O O [(P O N O P)Co II (NCCH 3 )H] + Co P P O C C H C H C H C N O S27
28 C C H H H C H H H C H H H C C H H H C H H H C H H H C C H H H C H H H C H H H C C H H H C H S28
29 H H C H H H N C C H H H H [(P C N C P)Co II (NCCH 3 ) 2 ] 2+ Co N C C C C C H H H C H H C H H P P C C C C N24 Co N P C H H H C H H H S29
30 C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H N C74 N Co N C75 N Co N C76 C N N H77 C C N H78 C C H S30
31 H79 C C H C80 C N N H81 C C N H82 C C H H83 C C H [(P C N C P)Co II (NCCH 3 )CO 2 ] 2+ Co N C C C C C H H H C H H C H H P P C C C C C H H H C H H H C H H H C H H H C S31
32 H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H N C C H H H C O O [(P C N C P)Co I (NCCH 3 ) 2 ] + Co N C C S32
33 C C C H H H C H H C H H P P C C C C C H H H C H H H C H H H C H H H C H H H C H H H C H H H S33
34 C H H H C H H H C H H H C H H H C H H H N C74 N Co N C80 C N N H81 C C N H82 C C H H83 C C H N84 Co N H C85 N Co N C86 C N N H87 C C H H88 C C H H89 C C H [(P C N C P)Co I (NCCH 3 )CO 2 ] + Co N C C C C C H H H C H S34
35 H C H H P P C C C C C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H S35
36 C H H H C H H H C H H H N C C H H H C O O [(P C N C P)Co III (NCCH 3 ) 2 H] 2+ Co N C C C C C H H H C H H C H H P P C C C C C S36
37 H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H S37
38 H N C C H H H H (P C N C P)Co 0 (NCCH 3 ) 2 (N-bound) Co N C C C C C H H H C H H C H H P P C C C C C H H H C H H H C H H H C H S38
39 H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H N C74 N Co N C80 C N N H81 C C N H82 C C H H83 C C H N84 Co N H C85 N Co N C86 C N N H87 C C H H88 C C H H89 C C H S39
40 (P C N C P)Co II (η 2 -NCCH 3 ) (C-bound) Co N C C C C C H H H C H H C H H P P C C C C C H H H C H H H C H H H C H H H C H H H C H S40
41 H H C H H H C H H H C H H H C H H H C H H H C H H H C80 Co P N N81 C Co P C82 C Co N H83 C C Co H84 C C H H85 C C H (P C N C P)Co 0 (NCCH 3 )CO 2 Co N C C C C C H H H C H S41
42 H C H H P P C C C C C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H S42
43 C H H H C H H H C H H H N C C H H H C O O [(P C N C P)Co II (NCCH 3 )H] + Co N C C C C C H H H C H H C H H P P C C C C C S43
44 H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H H C H H S44
45 H N C C H H H H S45
46 Table S3. Calculations for DFT energies. S46
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data reports Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyltriazolylidene)gold(I) hexafluoridophosphate trifluoromethanesulfonate Structure description
ISSN 2414-3146 Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyl-1,2,3- triazolylidene)gold(i) hexafluoridophosphate trifluoromethanesulfonate (1.2/1.8) Stefan Vanicek, Klaus Wurst, Holger Kopacka and Benno
Bis(4,6-di-tert-butyl-2-{N-[4-(diethylamino)phenyl]- carboximidoyl}phenolato)cobalt(ii)
![Bis(4,6-di-tert-butyl-2-{N-[4-(diethylamino)phenyl]- carboximidoyl}phenolato)cobalt(ii)](/thumbs/94/119443393.jpg "Bis(4,6-di-tert-butyl-2-{N-[4-(diethylamino)phenyl]- carboximidoyl}phenolato)cobalt(ii)")
Bis(4,6-di-tert-butyl-2-{N-[4-(diethylamino)phenyl]- carboximidoyl}phenolato)cobalt(ii) ISSN 2414-3146 C.Vidya Rani, a L. Mitu, b G. Chakkaravarthi c * and G. Rajagopal d * Received 23 May 2017 Accepted
Supporting Information
Electronic Supplementary Material (ESI) for CrystEngComm. This journal is The Royal Society of Chemistry 2016 Supporting Information Structural and insights into the coordination chemistry and reactivity
metal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 catena-poly[[[bis(o,o 0 -diisobutyl dithiophosphato-j 2 S,S 0 )nickel(ii)]-l-1,2-bis(4- pyridylmethylene)hydrazine-j
metal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 a = 8.8035 (11) Å b = 18.138 (2) Å c = 20.966 (3) Å = 95.512 (2) V = 3332.4 (7) Å 3 Z =4 Mo K radiation
Experimental. Crystal data
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Ethyl N-[4-(3-methyl-4,5-dihydrobenzo- [g]indazol-1-yl)phenylsulfonyl]thiocarbamate ethanol monosolvate Abdullah
Experimental. Crystal data. C 23 H 17 N 3 O M r = Monoclinic, P2 1 =n a = (6) Å b = (12) Å c = (6) Å = 90.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 A second monoclinic polymorph for 3-amino-1-(4-methoxyphenyl)-9,10- dihydrophenanthrene-2,4-dicarbonitrile Abdullah
Supporting Information. Exploring Förster Electronic Energy Transfer in a Decoupled Anthracenyl-based Borondipyrromethene (Bodipy) Dyad
Supporting Information Exploring Förster Electronic Energy Transfer in a Decoupled Anthracenyl-based Borondipyrromethene (Bodipy) Dyad Dan Bai, Andrew C. Benniston, Jerry Hagon, Helge Lemmetyinen, ikolai
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Supporting Information C 2 fixation employing an Iridium(I)- hydroxide complex Byron J. Truscott, David J. elson, Alexandra M. Z. Slawin and Steven P. olan * EaStCHEM School of Chemistry, University of
Macrocyclic Scaffolds Derived from para-aminobenzoic acid. Electronic Supplementary material
Macrocyclic Scaffolds Derived from para-aminobenzoic acid Electronic Supplementary material Fred Campbell a, Jeffrey Plante, a Christopher Carruthers, a Michaele J. Hardie, a Timothy Prior b and Andrew
= 0.74 mm 1 T = 100 K. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 423 parameters 1 restraint
![= 0.74 mm 1 T = 100 K. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 423 parameters 1 restraint](/thumbs/94/121843619.jpg "= 0.74 mm 1 T = 100 K. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 423 parameters 1 restraint")
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 1-Cyclohexyl-2-(3-furyl)-1Hbenzimidazole-5-carboxylic acid Sergey Dibrov, Sanjay Dutta and Thomas Hermann* University
Supplementary Information. Phase-selective cation-exchange chemistry in sulfide nanowire systems
Supplementary Information Phase-selective cation-exchange chemistry in sulfide nanowire systems Dandan Zhang,, Andrew B. Wong,, Yi Yu,, Sarah Brittman,, Jianwei Sun,, Anthony Fu,, Brandon Beberwyck,,,
Experimental. Crystal data
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 4-Nitrobenzoic acid N-(pyrimidin-2-yl)- aniline (1/1) Experimental Crystal data C 10 H 9 N 3 C 7 H 5 NO 4 M r
Bis{3,5-di-tert-butyl-N-[(4-dimethylamino)phenyl]- salicylaldiminato}cobalt(ii)
![Bis{3,5-di-tert-butyl-N-[(4-dimethylamino)phenyl]- salicylaldiminato}cobalt(ii)](/thumbs/94/119443391.jpg "Bis{3,5-di-tert-butyl-N-[(4-dimethylamino)phenyl]- salicylaldiminato}cobalt(ii)")
Bis{3,5-di-tert-butyl-N-[(4-dimethylamino)phenyl]- salicylaldiminato}cobalt(ii) ISSN 2414-3146 C. Vidya Rani, a L. Mitu, b G. Chakkaravarthi c * and G. Rajagopal d * Received 28 March 2017 Accepted 6 April
Experimental. Crystal data. C 60 H 88 O 4 4CHCl 3 2H 2 O M r = Orthorhombic, Pbcn a = (6) Å b = (6) Å c = 25.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 25,26,27,28-Tetrabutoxy-5,11,17,23- tetra-tert-butylcalix[4]arene chloroform tetrasolvate dihydrate Zhengyi Li,
To a slurry of 2,2 -dilithiobiphenyl bis TMEDA adduct (16) (27.0 g, 67.8 mmol) in diethyl
Page S1 Contents of the supporting information:?? Experimental procedure for 19.?? Characterization of 27 (including 1 H-, 13 C-, DEPT, 1 H- 1 H COSY, 1 H- 13 C correlation spectra) and X-Ray data for
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metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 [6,13-Bis(2,4-dichlorobenzoyl)- 5,7,12,14-tetramethyldibenzo[b,i]- [1,4,8,11]tetraazacyclotetradecinatoj
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metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Dichlorido(3-phenylindenylidene)bis- (triphenylphosphane)ruthenium(ii) tetrahydrofuran disolvate Jan W.
Experimental. Crystal data. C 30 H 32 N 2 O 7 CH 4 O M r = Monoclinic, P2 1 a = (4) Å b = (3) Å c = (5) Å = 105.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 9-{[4-(Dimethylamino)benzyl]amino}- 5-(4-hydroxy-3,5-dimethoxyphenyl)- 5,5a,8a,9-tetrahydrofuro[3 0,4 0 :6,7]-
Experimental. Crystal data
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 N,N 0 -Dibenzyl-N 00 -(2,4-difluorobenzoyl)- N,N 0 -dimethylphosphoric triamide Mehrdad Pourayoubi, a Samad Shoghpour,
Supporting Information. Dinuclear Aluminum Poly(phenolate) Complexes as Efficient Catalysts for Cyclic Carbonate Synthesis
Supporting Information Dinuclear Aluminum Poly(phenolate) Complexes as Efficient Catalysts for Cyclic Carbonate Synthesis Pengfei Gao, Zhiwen Zhao, Lijuan Chen, Dan Yuan* and Yingming Yao* Key Laboratory
Triclinic polymorphs of triphenylphosphine and triphenylphosphine sulfide
electronic papers Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 Triclinic polymorphs of triphenylphosphine and triphenylphosphine sulfide Burkhard Ziemer, Annegrit Rabis
Experimental. Crystal data. C 22 H 23 O 4 PSe M r = Monoclinic, P2 1 =c a = (13) Å b = (14) Å c = (2) Å = 95.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Bis(2,4-dimethoxyphenyl)(phenyl)- phosphine selenide Alfred Muller Research Centre in Synthesis and Catalysis,
Experimental. Crystal data. C 30 H 48 O 3 M r = Orthorhombic, P a = (11) Å b = (13) Å c = 15.
Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 14-Hydroxy-8,14-secogammacera-7-ene- 3,21-dione from the bark of Lansium domesticum Corr. Unang Supratman, a Tri Mayanti, a Khalijah
5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H- benzimidazole 6-Chloro-2-(thiophen-2-yl)-1-(thiophen-2- ylmethyl)-1h-benzimidazole (0.94/0.
Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H- benzimidazole 6-Chloro-2-(thiophen-2-yl)-1-(thiophen-2- ylmethyl)-1h-benzimidazole
Supporting information for. Base-Mediated Cascade Cyclization: Stereoselective Synthesis of Benzooxazocinone
Supporting information for Base-Mediated Cascade Cyclization: Stereoselective Synthesis of Benzooxazocinone Chiranan Pramthaisong, Rattana Worayuthakarn, Vannapha Pharikronburee, Tanwawan Duangthongyou,,
2. Experimental Crystal data
data reports (2012); Ojima et al. (2011). For the synthesis of azilsartan methyl ester, the key synthetic intermediate of azilsartan, see: Kohara et al. (1996); Rádl et al. (2013). ISSN 2056-9890 Crystal
metal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Polymeric strontium ranelate nonahydrate Kenny Stahl,* Christian G. Frankaer, Anders C. Raffalt, Søren R.
2. Experimental Crystal data
data reports ISSN 2056-9890 Crystal structure of bis(1-methyl-1himidazole-jn 3 )(5,10,15,20-tetraphenylporphyrinato-j 4 N)iron(II) 1-methyl-1Himidazole (1/2) Ye Guan,* Douglas R. Powell and George B. Richter-Addo
metal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Monoclinic, P2 1 =n a = 11.6887 (5) Å b = 16.8061 (9) Å c = 11.7888 (5) Å = 103.757 (4) V = 2249.38 (18)
Supplementary Material
Supplementary Material Reactivity of 2-substituted hydrazinecarbothioamides towards tetracyanoethylene and convenient synthesis of (5-amino-2-diazenylthiazolylmethylene)malononitrile derivatives Alaa A.
Experimental. Crystal data. C 19 H 18 O 2 M r = Orthorhombic, Pbca a = (3) Å b = (7) Å c = (5) Å.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 3-Methyl-5-(3-phenoxyphenyl)cyclohex- 2-enone R. T. Sabapathy Mohan, a S. Kamatchi, a M. Subramanyam, b A. Thiruvalluvar
CIF access. trans-(r,r)-2,2'-(cyclopenta-1,2-diyl)diphenyl Bis[(R)-O-methylmandelate] V. M. Lynch, R. Apodaca, J. K. Whitesell and M. I.
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CIF access Acta Cryst. (1998). C54, IUC9800052 [ doi:10.1107/s0108270198099296 ] trans-(r,r)-2,2'-(cyclopenta-1,2-diyl)diphenyl Bis[(R)-O-methylmandelate] V. M. Lynch, R. Apodaca, J. K. Whitesell and M.
metal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Bis[1,3-bis(1-benzyl-1H-benzimidazol-2- yl)-2-oxapropane]nickel(ii) dipicrate dimethylformamide ethanol
organic compounds The molecular conformation of pentan-3-one studied in cholic acid pentan-3-one solvate
organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 The molecular conformation of pentan-3-one studied in cholic acid pentan-3-one solvate in Fig. 1. Our
data reports 1-(Pyridin-2-yl)-2,4-bis[(pyridin-2-yl)carbonyl]- 3,5-bis(3,4,5-trimethoxyphenyl)cyclohexanol 2.25-hydrate Structure description
![data reports 1-(Pyridin-2-yl)-2,4-bis[(pyridin-2-yl)carbonyl]- 3,5-bis(3,4,5-trimethoxyphenyl)cyclohexanol 2.25-hydrate Structure description](/thumbs/81/82650893.jpg "data reports 1-(Pyridin-2-yl)-2,4-bis[(pyridin-2-yl)carbonyl]- 3,5-bis(3,4,5-trimethoxyphenyl)cyclohexanol 2.25-hydrate Structure description")
ISSN 2414-3146 1-(Pyridin-2-yl)-2,4-bis[(pyridin-2-yl)carbonyl]- 3,5-bis(3,4,5-trimethoxyphenyl)cyclohexanol 2.25-hydrate Era Dravida Thendral, a S. Gomathi, b U. Mohamooda Sumaya, c K. Biruntha c and
2. Experimental Crystal data
data reports features have been obtained, see: Ahlers, Temme, Erker, Fröhlich & Zippel (1997); Burlakov et al. (2004). ISSN 2056-9890 Crystal structure of bis(g 5 -cyclopenta- dienyl)(1,4-di-tert-butylbuta-1-en-3-yn-1-
metal-organic papers Bis(tetraphenylphosphonium) bis(1-carboxybenzene- 2,3-diolato-j 2 O,O 0 )-cis-dioxomolybdate(vi)
metal-organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Bis(tetraphenylphosphonium) bis(1-carboxybenzene- 2,3-diolato-j 2 O,O 0 )-cis-dioxomolybdate(vi) Charalambos
Supporting Information. Single-Nanowire Electrochemical Probe Detection for Internally Optimized Mechanism of
Supporting Information Single-Nanowire Electrochemical Probe Detection for Internally Optimized Mechanism of Porous Graphene in Electrochemical Devices Ping Hu, Mengyu Yan, Xuanpeng Wang, Chunhua Han,*
Fingerprinting the oxidation state of U(IV) by
Fingerprinting the oxidation state of U(IV) by emission spectroscopy Emtithal Hashem, 1 Giulia Lorusso 2 Marco Evangelisti, 2 Thomas McCabe, 1 Carola Schulzke, 3 James A. Platts 4 and Robert J. Baker 1*
SUPPORTING INFORMATION
SUPPORTING INFORMATION Silylium-Arene Adducts: An Experimental And Theoretical Study Muhammad Farooq Ibad, Peter Langer, Axel Schulz* and Alexander Villinger* This file includes: 1. Experimental p. 2 2.
2. Experimental Crystal data
data reports ISSN 1600-5368 Crystal structure of bis{2,4-di-tert-butyl- 6-[(isopropylimino)methyl]phenolatoj 2 N,O}zinc dichloromethane monosolvate Yuan-Zeng Hao Guangzhou Super-Dragon Engineering Plastics
5-Methoxy-2-methyl-4-nitro-1-phenyl-1Himidazole
University of Wollongong Research Online Australian Institute for Innovative Materials - Papers Australian Institute for Innovative Materials 2007 5-Methoxy-2-methyl-4-nitro-1-phenyl-1Himidazole Pawel
Z =8 Mo K radiation = 1.83 mm 1. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 290 parameters
![Z =8 Mo K radiation = 1.83 mm 1. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 290 parameters](/thumbs/93/113139101.jpg "Z =8 Mo K radiation = 1.83 mm 1. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 290 parameters")
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 [4-(Methoxycarbonyl)benzyl]triphenylphosphonium bromide hemihydrate Z =8 Mo K radiation = 1.83 mm 1 Data collection
Supporting Information
Supporting Information Ultrathin and Ultralong Single-crystal Pt Nanowire Assemblies with Highly Stable Electrocatalytic Activity Bao Yu Xia, Hao Bin Wu, Ya Yan, Xiong Wen (David) Lou,* and Xin Wang* School
Sydnone anions and abnormal N-heterocyclic carbenes of O- ethylsydnones. Characterizations, calculations and catalyses
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2014 Sydnone anions and abnormal N-heterocyclic carbenes of O- ethylsydnones. Characterizations, calculations
5-Methyl-N 0 -(5-methyl-1-phenyl-1H-1,2,3-triazole- 4-carbonyl)-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide
ISSN 2414-3146 5-Methyl-N 0 -(5-methyl-1-phenyl-1H-1,2,3-triazole- 4-carbonyl)-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide Gamal A. El-Hiti, a * Bakr F. Abdel-Wahab, b,c Mohamed S. Mostafa, d Rizk E. Khidre,
Experimental. Crystal data. C 30 H 37 NO 7 M r = Orthorhombic, P a = (6) Å b = (5) Å c = (9) Å.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Euphorbia factor L 8 : a diterpenoid from the seeds of Euphorbia lathyris Wei Jiao, a Zhi-hua Mao, b Wei-wei Dong,
= knd 1/ 2 m 2 / 3 t 1/ 6 c
DNA Sequencing with Sinusoidal Voltammetry Brazill, S. A., P. H. Kim, et al. (2001). "Capillary Gel Electrophoresis with Sinusoidal Voltammetric Detection: A Strategy To Allow Four-"Color" DNA Sequencing."
metal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Di-l-cyanido-tetracyanido(5,5,7,12,- 12,14-hexamethyl-1,4,8,11-tetraaza- cyclotetradecane)[n-(quinolin-8-yl)-
Experimental. Crystal data
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 5,11,17,23-Tetra-tert-butyl-25,27-bis[2- (4-nitrophenoxy)ethoxy]calix[4]arene- 26,28-diol acetonitrile tetrasolvate
research communications
research communications ISSN 2056-9890 Crystal structure of acetonitrile[g 6-1-methyl-4-(1- methylethyl)benzene][1-(pyrimidin-2-yl)-3h-indol- 1-ium-2-yl-j 2 N,C]ruthenium(II) bis(hexafluoridoantimonate)
Experimental. Crystal data. C 29 H 50 O 2 M r = Monoclinic, P2 1 a = (1) Å b = (2) Å c = (4) Å = 93.
Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 17-(5-Ethyl-6-methylheptan-2-yl)-10,13- dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,- 16,17-tetradecahydro-1H-cyclopenta[a]- phenanthrene-3,7-diol
ejs002_cm2_co ejs002_stak1_co ejs002_ofit_co ejs002_stak2_co
ejs002_cm2_co ejs002_cm3_co ejs002_cm1_co ejs002_stak1_co ejs002_ofit_co ejs002_stak2_co ejs002_t1a_co ejs002_t1b_co ejs002_t2a_co ejs002_t2b_co ejs002_v12 1 9 Feb 2004 Acta Cryst. (2003). C59,
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metal-organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 A saccharinate±iron(ii) complex with a free saccharin molecule present, [Fe(phen) 3 ]sac 2 sach6h
metal-organic compounds
metal-organic compounds Acta Crystallographica Section C Crystal Structure Communications ISSN 0108-2701 Two saccharinate complexes: [Mn(phen) 2 (sac)(h 2 O)] + sac ± and [Co(bipy) 2 (sac)(h 2 O)] + sac
Supporting Information for: Ruthenium Alkylidenes: Fast Initiators for Olefin Metathesis. Organometallics
Supporting Information for: Ruthenium Alkylidenes: Fast Initiators for Olefin Metathesis Organometallics Joseph E. Williams, Mary J. Harner, and Michael B. Sponsler* Department of Chemistry Syracuse University
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Supporting Information for Simple two-step synthesis of 2,4-disubstituted pyrroles and 3,5-disubstituted pyrrole-2-carbonitriles from enones Murat Kucukdisli 1, Dorota Ferenc 1, Marcel Heinz 2, Christine
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Highly diastereoselective cyclopropanation of -methylstyrene catalyzed by a C 2 -symmetrical chiral iron porphyrin complex Daniela Intrieri, Stéphane Le Gac, Alessandro Caselli, Eric Rose, Bernard Boitrel,
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metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 [1,3-Bis(diphenylphosphino)propanej 2 P,P 0 ]diiodido(perfluoropropyl)- rhodium(iii) dichloromethane solvate
Fluorinated triazapentadienyl ligand supported ethyl zinc(ii) complexes: reaction with dioxygen and catalytic applications in the Tishchenko reaction
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2016 Fluorinated triazapentadienyl ligand supported ethyl zinc(ii) complexes: reaction with
2. Experimental Crystal data
data reports ISSN 1600-5368 Crystal structure of ethyl 2-[(4-bromo- phenyl)amino]-3,4-dimethylpent-3- enoate Julio Zukerman-Schpector, a * I. Caracelli, b Hélio A. Stefani, c Amna N. Khan c and Edward
Experimental. Crystal data
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Ethyl 4-(3-bromo-2-thienyl)-2-oxo-6- phenylcyclohex-3-ene-1-carboxylate Experimental Crystal data C 19 H 17 BrO
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upporting Information Unexpected ynthesis of ovel 3-allyl-5-(arylidene)-2-thioxo-thiazolidin-4- ones in Reactions of 3-Allylrhodanine with 2-Arylidene-4-methyl-5- oxopyrazolidinium ylides Rahhal El Ajlaoui
SUPPORTING INFORMATION
SUPPORTING INFORMATION Rotenoids, Flavonoids and Chalcones from the Root Bark of Millettia usaramensis ssp. usaramensis Tsegaye Deyou, Ivan Gumula, Fangfang Pang, Amra Gruhonjic, Michael Mumo, John Holleran,
Experimental. Crystal data. C 30 H 27 O 8 P M r = Triclinic, P1 a = (6) Å b = (4) Å c = (4) Å = (3) = 72.
Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Tetramethyl 1,1,2-triphenyl-2H-1k 5 - phosphole-2,3,4,5-tetracarboxylate Krzysztof K. Krawczyk, a Krystyna Wojtasiewicz, a Jan K.
Experimental. Crystal data
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Triclinic polymorph of bis(triphenylsilyl) oxide toluene disolvate Andrew P. Purdy, a * Emily Smoot, a Ray J.
metal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Bis[1-benzyl-2-(1,3-thiazol-4-yl)-1Hbenzimidazole-j 2 N 2,N 3 ]dichloridocobalt(ii) Hicham Gueddar, a,b
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metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Hexaaquacadmium(II) bis{[n-(2- oxidobenzylidene)glycyl-l-leucinato]- cuprate(ii)} dihydrate Guolin Zhang,
Monoclinic, P2 1 =c a = (3) Å b = (3) Å c = (15) Å = (3) V = (5) Å 3. Data collection.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Tectorigenin monohydrate: an isoflavone from Belamcanda chinensis Benguo Liu, a * Yuxiang Ma, b Han Gao a and
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metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Tetraethylammonium dicyanido- (5,10,15,20-tetraphenylporphyrinato)- ferrate(iii) dichloromethane monosolvate
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metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Tris[4-(2-pyridylmethyleneamino)- phenol]iron(ii) bis(perchlorate) Mihaela-Diana Şerb, a Beatrice Calmuschi-Cula,
Multifunctional poly[n-(2-hydroxypropyl)methacrylamide] copolymers via post-polymerization modification and sequential thiol ene chemistry
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Electronic Supplementary Information for: Multifunctional poly[n-(2-hydroxypropyl)methacrylamide] copolymers via post-polymerization modification and sequential thiol ene chemistry Nora Francini, Laura
metal-organic compounds
metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 rac-carbonyl{1-[(diphenylphosphino)- methyl]ethanethiolato}(triphenylphosphine)rhodium(i) Simón Hernández-Ortega*