Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1515761 | CIF | C70 H128 O23 V6 | P -1 | 11.232; 13.693; 14.106 96.27; 91.4; 90.45 | 2155.8 | Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science, 2010, 1, 221 |
| 1515762 | CIF | C98 H124 O24 V6 | P 1 21/n 1 | 11.486; 28.417; 14.966 90; 100.286; 90 | 4806 | Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science, 2010, 1, 221 |
| 1515763 | CIF | C62 H98 O11 V2 | P -1 | 11.2421; 14.0373; 21.6847 105.957; 93.77; 95.885 | 3257 | Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science, 2010, 1, 221 |
| 1515764 | CIF | C67 H120 O24 V6 | P -1 | 13.52; 18.22; 19.29 89.59; 74.53; 82.69 | 4540.6 | Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science, 2010, 1, 221 |
| 1515765 | CIF | C62 H98 O13 V2 | P 1 21/c 1 | 13.7603; 11.8807; 20.3294 90; 95.249; 90 | 3309.6 | Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science, 2010, 1, 221 |
| 1515766 | CIF | C24 H16 S2 | P 1 21 1 | 11.686; 7.737; 10.674 90; 114.187; 90 | 880.4 | Kang, Myeong Jin; Yamamoto, Tatsuya; Shinamura, Shoji; Miyazaki, Eigo; Takimiya, Kazuo Unique three-dimensional (3D) molecular array in dimethyl-DNTT crystals: a new approach to 3D organic semiconductors Chemical Science, 2010, 1, 179 |
| 1515767 | CIF | C24 H16 S2 | P 1 21/n 1 | 6.148; 7.535; 18.559 90; 97.924; 90 | 851.5 | Kang, Myeong Jin; Yamamoto, Tatsuya; Shinamura, Shoji; Miyazaki, Eigo; Takimiya, Kazuo Unique three-dimensional (3D) molecular array in dimethyl-DNTT crystals: a new approach to 3D organic semiconductors Chemical Science, 2010, 1, 179 |
| 1515770 | CIF | C21 H34 B Cl3 Ga2 N6 S3 | R -3 :H | 15.7834; 15.7834; 21.1015 90; 90; 120 | 4552.4 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515771 | CIF | C27 H40 B Ga2 I3 N6 S3 | P 1 21/c 1 | 17.1401; 11.9049; 19.0672 90; 100.615; 90 | 3824.1 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515772 | CIF | C25 H40 B Ga2 I3 N8 S3 | P -1 | 11.0854; 11.1373; 16.5062 76.455; 83.638; 80.982 | 1950.9 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515773 | CIF | C50 H80 B2 Ga4 I5 N16 S6 | P 1 21/c 1 | 30.236; 10.3955; 27.107 90; 110.589; 90 | 7976 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515774 | CIF | C46 H74 B2 Ga3 I3 N14 S6 | P b a 2 | 14.953; 20.106; 11.2381 90; 90; 90 | 3378.7 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515775 | CIF | C56 H84 B2 Ga I N12 S6 | C 1 2/c 1 | 28.73; 11.539; 19.666 90; 102.55; 90 | 6363.8 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515776 | CIF | C45 H43 B2 F15 Ga N9 S3 | P -3 | 16.5444; 16.5444; 11.2559 90; 90; 120 | 2668.2 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515777 | CIF | C27 H40 B Cl3 Ga2 N6 S4 | P 1 21/c 1 | 15.8552; 12.7781; 18.4005 90; 100.18; 90 | 3669.2 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515778 | CIF | C23 H37 B Cl5 Ga2 N7 S3 | P 1 21/n 1 | 16.0697; 17.5534; 26.6647 90; 95.197; 90 | 7490.6 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515779 | CIF | C23 H36 B Cl11 Ga2 N6 S3 | P -1 | 11.0927; 14.4146; 16.1852 98.23; 107.155; 112.117 | 2194.38 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515780 | CIF | C33 H46 B Cl5 Ga2 N6 S3 | P -1 | 11.9637; 13.0055; 16.595 99.187; 102.166; 113.54 | 2226.7 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515781 | CIF | C54 H86 B2 Ga2 I2 N18 S6 | P -3 | 11.4967; 11.4967; 16.993 90; 90; 120 | 1945.1 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515782 | CIF | C48 H80 B2 Cl8 Ga4 N12 O2 S6 | P -1 | 11.241; 11.857; 15.252 110.582; 107.533; 94.069 | 1778.7 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515783 | CIF | C27 H40 B Ga I2 N6 S3 | P 1 21/n 1 | 11.6794; 16.382; 19.208 90; 91.443; 90 | 3673.9 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515784 | CIF | C24 H8 Cl Fe4 N32 O4 | P m -3 m | 18.8235; 18.8235; 18.8235 90; 90; 90 | 6669.6 | Sumida, Kenji; Horike, Satoshi; Kaye, Steven S.; Herm, Zoey R.; Queen, Wendy L.; Brown, Craig M.; Grandjean, Fernande; Long, Gary J.; Dailly, Anne; Long, Jeffrey R. Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metal‒organic framework (Fe-BTT) discovered via high-throughput methods Chemical Science, 2010, 1, 184 |
| 1515785 | CIF | C104 H151 N11 O10 | P 1 | 8.932; 12.45; 22.583 93.679; 100.549; 98.64 | 2429.96 | Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E. Acyclic indole and carbazole-based sulfate receptors Chemical Science, 2010, 1, 215 |
| 1515786 | CIF | C67 H99 N10 O7 P | P 1 21/n 1 | 14.786; 17.7836; 25.6491 90; 103.512; 90 | 6557.7 | Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E. Acyclic indole and carbazole-based sulfate receptors Chemical Science, 2010, 1, 215 |
| 1515787 | CIF | C67 H98 N10 O7 S | P -1 | 8.7802; 16.9156; 22.1638 88.1703; 85.7351; 82.7653 | 3255.72 | Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E. Acyclic indole and carbazole-based sulfate receptors Chemical Science, 2010, 1, 215 |
| 1515788 | CIF | C9 H19 O4 P Si | P 1 21 1 | 9.5228; 7.4316; 9.7945 90; 103.092; 90 | 675.14 | Uraguchi, Daisuke; Ito, Takaki; Nakamura, Shinji; Ooi, Takashi Catalytic asymmetric hydrophosphonylation of ynones Chemical Science, 2010, 1, 488 |
| 1515789 | CIF | C6 H5 Cu Se | P 42/n :2 | 17.1243; 17.1243; 4.1859 90; 90; 90 | 1227.5 | Low, Kam-Hung; Li, Cheng-Hui; Roy, Vellaisamy A. L.; Chui, Stephen Sin-Yin; Chan, Sharon Lai-Fung; Che, Chi-Ming Homoleptic copper(i) phenylselenolate polymer as a single-source precursor for Cu2Se nanocrystals. Structure, photoluminescence and application in field-effect transistor Chemical Science, 2010, 1, 515 |
| 1515790 | CIF | C50 H58 O4.5 P | P 41 21 2 | 16.2608; 16.2608; 34.648 90; 90; 90 | 9161.4 | Rueping, Magnus; Theissmann, Thomas Asymmetric Brønsted acid catalysis in aqueous solution Chemical Science, 2010, 1, 473 |
| 1515791 | CIF | C48.5 H29 Cl O4 P Pd0.25 | C 1 2 1 | 25.774; 17.105; 22.731 90; 121.38; 90 | 8555 | Rueping, Magnus; Theissmann, Thomas Asymmetric Brønsted acid catalysis in aqueous solution Chemical Science, 2010, 1, 473 |
| 1515792 | CIF | C10 H22.32 F2 N2 O97 Si48 | P n m a | 19.959; 19.89; 13.407 90; 90; 90 | 5322 | Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E. Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites Chemical Science, 2010, 1, 483 |
| 1515793 | CIF | O16 Si8 | C m c 21 | 13.824; 17.42; 5.052 90; 90; 90 | 1216.59 | Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E. Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites Chemical Science, 2010, 1, 483 |
| 1515794 | CIF | C68 H88 Cl2 Ge2 O2 | I 1 2/m 1 | 14.3831; 10.975; 19.628 90; 95.579; 90 | 3083.7 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515795 | CIF | C72 H84 Cl2 Sn2 | I 1 2/m 1 | 14.908; 11.003; 19.38 90; 98.493; 90 | 3144.1 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515796 | CIF | C78 H102 Ge2 Sn2 | P 1 21/c 1 | 12.753; 11.666; 23.95 90; 90.305; 90 | 3563.1 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515797 | CIF | C67 H92.5 Ge2 O0.25 Si2 | P 1 21/c 1 | 12.915; 45.098; 22.5681 90; 98.67; 90 | 12994.4 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515798 | CIF | C80 H106 Si2 Sn2 | P 1 21/c 1 | 12.7007; 11.7079; 24.3198 90; 90.138; 90 | 3616.3 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515799 | CIF | C76 H94 O2 Sn2 | P -1 | 10.851; 12.507; 13.88 96.444; 97.785; 114.634 | 1666.5 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515800 | CIF | C82 H106 Sn2 | P -1 | 10.5215; 12.0825; 15.337 103.218; 107.001; 91.541 | 1805.9 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515801 | CIF | C203 H284 Ge4 | P 1 21/c 1 | 15.153; 22.6; 26.212 90; 100.842; 90 | 8816 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515802 | CIF | C84.6667 H123.6667 O0.16667 Sn2 | P -1 | 15.1577; 22.7946; 36.174 75.115; 84.218; 78.732 | 11829.5 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515803 | CIF | C60 H72 Cl4 Sn2 | P c c n | 20.3965; 15.7884; 17.1574 90; 90; 90 | 5525.2 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515804 | CIF | C80 H106 Cl2 Si2 Sn2 | P -1 | 11.3422; 12.9163; 15.1478 112.053; 103.247; 103.156 | 1877.18 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515805 | CIF | C76 H94 Cl2 O2 Sn2 | C 1 2/c 1 | 23.035; 10.8053; 27.61 90; 98.801; 90 | 6791.2 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515806 | CIF | C84 H122 Cl0.13 Ge2 I1.87 | P -1 | 11.9294; 18.4084; 20.7414 114.657; 105.431; 90.806 | 3949.4 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515807 | CIF | C42 H61 Cl Sn | C 1 2/c 1 | 16.5067; 9.4895; 26.1959 90; 108.267; 90 | 3896.6 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515808 | CIF | C80 H106 Cl1.7 Ge2 I0.3 Sn2 | P -1 | 11.4346; 12.9085; 15.1952 111.709; 103.674; 103.032 | 1899.2 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515809 | CIF | C35 H52 N3 O6.5 Si2 | P -1 | 10.129; 18.6652; 21.536 75.478; 88.638; 78.94 | 3867 | Goldup, Stephen M.; Leigh, David A.; McBurney, Roy T.; McGonigal, Paul R.; Plant, Andrew Ligand-assisted nickel-catalysed sp3‒sp3 homocoupling of unactivated alkyl bromides and its application to the active template synthesis of rotaxanes Chemical Science, 2010, 1, 383 |
| 1515810 | CIF | C44.5 H65 N2 P2 V | P 1 21/c 1 | 14.3987; 10.4231; 28.2627 90; 98.277; 90 | 4197.5 | Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J. Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex Chemical Science, 2010, 1, 351 |
| 1515811 | CIF | C100 H155 N5 P6 V2 | C 1 2/c 1 | 32.471; 10.7761; 28.001 90; 95.454; 90 | 9753 | Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J. Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex Chemical Science, 2010, 1, 351 |
| 1515812 | CIF | C38 H50 N P2 V | P b c a | 18.1601; 19.1808; 20.2261 90; 90; 90 | 7045.3 | Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J. Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex Chemical Science, 2010, 1, 351 |
| 1515813 | CIF | C29 H34 Cl2 F6 N2 O6 Pd2 | P c a 21 | 33.636; 11.4193; 18.0125 90; 90; 90 | 6918.6 | Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M. Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate Chemical Science, 2010, 1, 331 |
| 1515814 | CIF | C24 H20 F6 N2 O6 Pd2 | C 1 2/c 1 | 27.0838; 16.8253; 14.3465 90; 121.236; 90 | 5589.9 | Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M. Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate Chemical Science, 2010, 1, 331 |
| 1515817 | CIF | C12 H18 As5 Cl3 Cu3 Fe N | P 1 21/c 1 | 11.66; 21.626; 8.49 90; 90; 90 | 2140.8 | Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred The potential of a cyclo-As5 ligand complex in coordination chemistry Chemical Science, 2010, 1, 337 |
| 1515818 | CIF | C12 H18 As5 Br3 Cu3 Fe N | P 1 21/c 1 | 11.8229; 21.7908; 8.6497 90; 90.118; 90 | 2228.42 | Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred The potential of a cyclo-As5 ligand complex in coordination chemistry Chemical Science, 2010, 1, 337 |
| 1515819 | CIF | C10 H15 As5 Cu2 Fe I2 | P -1 | 8.4256; 10.9119; 11.482 71.256; 81.825; 78.273 | 975.42 | Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred The potential of a cyclo-As5 ligand complex in coordination chemistry Chemical Science, 2010, 1, 337 |
| 1515820 | CIF | C11 H17 As5 Cl2 Cu2 Fe I2 | P n m a | 15.6513; 11.7371; 24.53 90; 90; 90 | 4506.18 | Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred The potential of a cyclo-As5 ligand complex in coordination chemistry Chemical Science, 2010, 1, 337 |
| 1515821 | CIF | C15 H24 Cl2 Cu N3 | P c a 21 | 11.892; 15.074; 9.64 90; 90; 90 | 1728 | Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science, 2010, 1, 326 |
| 1515822 | CIF | C15 H24 Br2 Cu N3 | P c a 21 | 12.3103; 15.3429; 9.6916 90; 90; 90 | 1830.5 | Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science, 2010, 1, 326 |
| 1515823 | CIF | C15 H24 Cu I2 N3 | P 1 21/c 1 | 7.165; 17.7756; 15.0327 90; 99.274; 90 | 1889.6 | Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science, 2010, 1, 326 |
| 1515824 | CIF | C14 H24 Cl2 Cu N3 O | P c a 21 | 12.47; 15.254; 9.07 90; 90; 90 | 1725.3 | Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science, 2010, 1, 326 |
| 1515825 | CIF | C14 H22 Cu I2 N3 | P -1 | 15.441; 16.225; 16.686 66.117; 83.242; 70.542 | 3603 | Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science, 2010, 1, 326 |
| 1515826 | CIF | C11 H6 Cu N3 O4 | P 1 21/c 1 | 4.716; 27.833; 10.8881 90; 96.103; 90 | 1421.08 | Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer Chemical Science, 2010, 1, 315 |
| 1515827 | CIF | C12 H6 Cu N5 O4 | P 1 21/c 1 | 4.651; 34.683; 10.812 90; 95.8; 90 | 1735.2 | Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer Chemical Science, 2010, 1, 315 |
| 1515828 | CIF | C8 H4 Cu N3 O4 | P 1 21/c 1 | 4.7331; 19.9244; 10.8678 90; 96.009; 90 | 1019.25 | Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer Chemical Science, 2010, 1, 315 |
| 1515829 | CIF | C78.5 H79 Co N4 O3.5 | P -1 | 13.6816; 14.9382; 19.8125 100.854; 103.727; 109.497 | 3546.3 | McGuire Jr., Robert; Dogutan, Dilek K.; Teets, Thomas S.; Suntivich, Jin; Shao-Horn, Yang; Nocera, Daniel G. Oxygen reduction reactivity of cobalt(ii) hangman porphyrins Chemical Science, 2010, 1, 411 |
| 1515830 | CIF | C22 H20 O3 | P 1 21/c 1 | 10.6855; 7.9692; 21.0861 90; 102.213; 90 | 1754.95 | Sampath, Magesh; Loh, Teck-Peng Highly enantio-, regio- and diastereo-selective one-pot [2 + 3]-cycloaddition reaction via isomerization of 3-butynoates to allenoates, Chemical Science, 2010, 1, 739 |
| 1515831 | CIF | Bi Fe2 Mn O6 | P b c m | 5.0359; 7.07342; 12.65425 90; 90; 90 | 450.757 | Yang, Tao; Abakumov, Artem M.; Hadermann, Joke; Van Tendeloo, Gustaaf; Nowik, Israel; Stephens, Peter W.; Hemberger, Joachim; Tsirlin, Alexander A.; Ramanujachary, Kandalam V.; Lofland, Samuel; Croft, Mark; Ignatov, Alexander; Sun, Junliang; Greenblatt, Martha BiMnFe2O6, a polysynthetically twinned hcp MO structure Chemical Science, 2010, 1, 751 |
| 1515832 | CIF | C43 H60 Fe2 N4 O | P 1 21/c 1 | 16.3194; 10.7454; 22.9601 90; 97.397; 90 | 3992.7 | Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules, Chemical Science, 2010, 1, 697 |
| 1515833 | CIF | C26 H39 Fe N3 | P 1 21/n 1 | 15.253; 9.8425; 16.706 90; 95.195; 90 | 2497.7 | Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules, Chemical Science, 2010, 1, 697 |
| 1515834 | CIF | C25 H36 Fe N2 O2 | P 1 21/c 1 | 12.1007; 17.09; 11.5086 90; 97.616; 90 | 2359 | Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules, Chemical Science, 2010, 1, 697 |
| 1515835 | CIF | C24 H44 P2 | P -1 | 9.9447; 11.839; 11.991 117.625; 92.392; 99.186 | 1223.9 | Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J. Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene Chemical Science, 2010, 1, 723 |
| 1515836 | CIF | C24 H44 Cl2 P2 Pd | P 1 21/c 1 | 9.1553; 19.646; 15.159 90; 101.766; 90 | 2669.3 | Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J. Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene Chemical Science, 2010, 1, 723 |
| 1515837 | CIF | C24 H46 B2 F8 P2 | P -1 | 7.722; 15.101; 24.95 90.779; 97.485; 92.145 | 2882.1 | Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J. Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene Chemical Science, 2010, 1, 723 |
| 1515838 | CIF | C26 H41 N O9 | P 1 21 1 | 10.6909; 10.6557; 12.547 90; 110.269; 90 | 1340.8 | Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W. Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids Chemical Science, 2010, 1, 637 |
| 1515839 | CIF | C26 H41 N O9 | P 1 21 1 | 5.9601; 10.917; 20.891 90; 94.816; 90 | 1354.5 | Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W. Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids Chemical Science, 2010, 1, 637 |
| 1515840 | CIF | C26 H41 N O9 | P 21 21 21 | 10.5979; 11.4345; 23.237 90; 90; 90 | 2815.9 | Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W. Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids Chemical Science, 2010, 1, 637 |
| 1515847 | CIF | C16 H28 Br2 Fe N8 | P 1 21/n 1 | 9.5341; 16.1645; 13.717 90; 90.539; 90 | 2113.9 | Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science, 2010, 1, 615 |
| 1515848 | CIF | C73 H80 B2 Fe N10 | P -1 | 13.1775; 13.2415; 18.3584 93.46; 97.33; 90.471 | 3170.97 | Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science, 2010, 1, 615 |
| 1515849 | CIF | C74 H76 B2 Fe N10 | P -1 | 13.04; 13.169; 22.292 76.65; 79.24; 60.99 | 3244.7 | Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science, 2010, 1, 615 |
| 1515850 | CIF | C76 H76 B2 Fe N10 | C 1 2/c 1 | 45.6638; 12.6323; 24.6196 90; 98.831; 90 | 14033.2 | Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science, 2010, 1, 615 |
| 1515851 | CIF | C32 H30 | P -1 | 8.42; 10.445; 15.4972 81.045; 74.819; 68.224 | 1218.9 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515852 | CIF | C31 H29 N | P -1 | 8.3091; 10.524; 15.4592 80.8186; 74.9937; 67.8783 | 1206.7 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515853 | CIF | C31 H29 N | P -1 | 10.1034; 14.8715; 17.8686 74.014; 75.146; 78.92 | 2473.28 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515854 | CIF | C30 H28 N2 | P n n a | 18.9732; 14.5707; 8.6223 90; 90; 90 | 2383.66 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515855 | CIF | C66 H72 Cl4 O4 | P -1 | 9.5378; 11.7657; 13.6855 85.769; 88.725; 71.627 | 1453.51 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515856 | CIF | C61 H61 Cl8 N O4 | P -1 | 9.5501; 11.9607; 13.4618 85.7591; 88.837; 71.1797 | 1451.48 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515857 | CIF | C64 H58 O4 | P 1 21/c 1 | 21.7475; 36.719; 12.9048 90; 95.5386; 90 | 10257 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515858 | CIF | C82 H70 O4 | P 1 21/c 1 | 29.4698; 13.9924; 16.0684 90; 102.496; 90 | 6468.88 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515859 | CIF | C66 H50 O4 | C 1 c 1 | 35.6175; 9.396; 14.925 90; 92.4734; 90 | 4990.2 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515860 | CIF | C52 H50 O4 | P 1 c 1 | 12.9195; 26.1804; 13.8321 90; 114.575; 90 | 4254.73 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515861 | CIF | C32 H138 Cu4 F4 N12 O33 | F -4 3 c | 37.295; 37.295; 37.295 90; 90; 90 | 51874 | Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry Chemical Science, 2010, 1, 62 |
| 1515862 | CIF | C13 H44 Cu N6 O13 S2 | P -3 c 1 | 28.3688; 28.3688; 12.3891 90; 90; 120 | 8634.8 | Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry Chemical Science, 2010, 1, 62 |
| 1515863 | CIF | C66 H76 F24 N12 O4 P4 | P 1 21/c 1 | 13.8458; 22.974; 13.2064 90; 116.74; 90 | 3751.6 | Sue, Chi-Hau; Basu, Subhadeep; Fahrenbach, Albert C.; Shveyd, Alexander K.; Dey, Sanjeev K.; Botros, Youssry Y.; Stoddart, J. Fraser Enabling tetracationic cyclophane production by trading templates Chemical Science, 2010, 1, 119 |
| 1515864 | CIF | C36 H32 F24 N4 P4 | P 1 21/c 1 | 7.3165; 13.7561; 20.634 90; 97.195; 90 | 2060.4 | Sue, Chi-Hau; Basu, Subhadeep; Fahrenbach, Albert C.; Shveyd, Alexander K.; Dey, Sanjeev K.; Botros, Youssry Y.; Stoddart, J. Fraser Enabling tetracationic cyclophane production by trading templates Chemical Science, 2010, 1, 119 |
| 1515865 | CIF | C64.5 H58 Cl3 N O8 U | P 1 21/n 1 | 14.258; 18.699; 23.046 90; 106.19; 90 | 5901 | Beer, Stephan; Berryman, Orion B.; Ajami, Dariush; Rebek Jr., Julius Encapsulation of the uranyl dication Chemical Science, 2010, 1, 43 |
| 1515866 | CIF | C73 H86 N2 O18 U | C 1 c 1 | 18.534; 19.636; 19.425 90; 97.62; 90 | 7007 | Beer, Stephan; Berryman, Orion B.; Ajami, Dariush; Rebek Jr., Julius Encapsulation of the uranyl dication Chemical Science, 2010, 1, 43 |
| 1515867 | CIF | C71 H50 B F24 Ir N O P | P -1 | 13.9209; 15.6412; 17.1341 104.914; 106.384; 102.47 | 3286.93 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515868 | CIF | C68.95 H68.7 B Cl1.1 F24 Ir N O P | P 21 21 21 | 13.5137; 19.4816; 27.1434 90; 90; 90 | 7146 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515869 | CIF | C72 H74 B F24 Ir N O2 P | C 1 2 1 | 44.28; 12.7293; 25.6592 90; 95.409; 90 | 14398.5 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515870 | CIF | C77 H56 B F24 Ir N O P | P 1 | 12.8218; 14.836; 18.8757 96.898; 99.557; 95.874 | 3487.6 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
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