Crystallography Open Database
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Searching journal of publication like 'Chemical science'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1513606 | CIF | C126 H84 La3 N3 O21 | P 65 | 34.2658; 34.2658; 21.8681 90; 90; 120 | 22236.3 | Duan, Jingui; Higuchi, Masakazu; Krishna, Rajamani; Kiyonaga, Tomokazu; Tsutsumi, Yosuke; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy Chemical Science, 2014, 5, 660 |
| 1513607 | CIF | C26.5 H26 B0.5 Ni0.5 O0.25 P Si0.5 | P -1 | 11.6097; 13.0379; 17.3875 68.361; 72.03; 64.875 | 2178.5 | MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C. Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex Chemical Science, 2014, 5, 590 |
| 1513608 | CIF | C60 H54 B Ni P2 Si | P -1 | 12.1452; 20.3316; 21.4335 69.986; 77.017; 82.18 | 4835.7 | MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C. Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex Chemical Science, 2014, 5, 590 |
| 1513609 | CIF | C55.5 H45 B Ni O P2 | P 1 21/n 1 | 12.9166; 15.2418; 22.8933 90; 105.256; 90 | 4348.2 | MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C. Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex Chemical Science, 2014, 5, 590 |
| 1513610 | CIF | C67 H98 N12 S Si6 U2 | P 1 21/n 1 | 18.1014; 17.6622; 22.4297 90; 91.229; 90 | 7169.4 | Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science, 2014, 5, 841 |
| 1513611 | CIF | C67 H98 N12 Se Si6 U2 | P 1 21/n 1 | 18.1375; 17.5716; 22.6446 90; 90.9355; 90 | 7216 | Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science, 2014, 5, 841 |
| 1513612 | CIF | C35.25 H51 N6 S2 Si3 U | P 1 21/n 1 | 22.725; 19.812; 30.101 90; 145.19; 90 | 7736 | Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science, 2014, 5, 841 |
| 1513613 | CIF | C60 H90 N12 S2 Si6 U2 | P 1 21/n 1 | 14.1895; 12.4113; 20.2745 90; 108.259; 90 | 3390.8 | Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science, 2014, 5, 841 |
| 1513614 | CIF | C30 H45 N6 Na O Si3 U | P 1 21/n 1 | 10.5247; 18.506; 17.3041 90; 91.612; 90 | 3368.99 | Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science, 2014, 5, 841 |
| 1513615 | CIF | C22 H45 K Mg N2 | P 1 21 1 | 12.8807; 26.5173; 16.1073 90; 105.997; 90 | 5288.6 | Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science, 2014, 5, 771 |
| 1513616 | CIF | C88 H180 K4 Mg4 N8 | C 1 c 1 | 25.779; 25.754; 16.135 90; 94.132; 90 | 10684 | Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science, 2014, 5, 771 |
| 1513617 | CIF | C168 H342 K6 Mg6 N12 | R -3 :H | 37.852; 37.852; 11.585 90; 90; 120 | 14374.9 | Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science, 2014, 5, 771 |
| 1513618 | CIF | C189 H282 K6 Mg6 N12 | R -3 :H | 37.8751; 37.8751; 11.7865 90; 90; 120 | 14642.8 | Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science, 2014, 5, 771 |
| 1513619 | CIF | C62 H106 Mg2 N6 Na4 | P n a 21 | 16.9437; 16.1245; 23.5059 90; 90; 90 | 6422 | Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science, 2014, 5, 771 |
| 1513620 | CIF | C14 H18 N4 | P 1 21/c 1 | 6.9434; 18.717; 9.893 90; 95.19; 90 | 1280.4 | Huh, Chan Woo; Aubé, Jeffrey Aryl nitrenium ions from N-alkyl-N-arylamino-diazonium precursors: synthesis and reactivity Chemical Science, 2014, 5, 699 |
| 1513621 | CIF | C18 H31 B Cl2 N6 O3 P Rh | P 1 21/n 1 | 10.677; 12.392; 18.636 90; 90.104; 90 | 2465.7 | Jiao, Yunzhe; Brennessel, William W.; Jones, William D. Synthesis and energetics of Tp′Rh[P(OMe)3](R)H: a systematic investigation of ligand effects on C‒H activation at rhodium Chemical Science, 2014, 5, 804 |
| 1513622 | CIF | C19 H34 B Cl N6 O3 P Rh | P 1 21/n 1 | 19.0753; 8.1941; 33.2922 90; 105.977; 90 | 5002.7 | Jiao, Yunzhe; Brennessel, William W.; Jones, William D. Synthesis and energetics of Tp′Rh[P(OMe)3](R)H: a systematic investigation of ligand effects on C‒H activation at rhodium Chemical Science, 2014, 5, 804 |
| 1513623 | CIF | C32 H36 Cl2 N2 Th | P 1 21/n 1 | 10.165; 15.515; 18.2424 90; 91.134; 90 | 2876.44 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513624 | CIF | C32 H36 I2 N2 U | P 1 21/n 1 | 10.6471; 22.5946; 12.5757 90; 95.444; 90 | 3011.65 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513625 | CIF | C86 H114 Cl2 K2 N4 O4 Th2 | P 1 21/c 1 | 10.5523; 18.0034; 23.5696 90; 98.237; 90 | 4431.5 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513626 | CIF | C38 H52 K N3 Si2 Th | P 21 21 21 | 12.232; 12.893; 23.252 90; 90; 90 | 3667 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513627 | CIF | C42 H56 I N2 O2.5 U | P -1 | 10.112; 11.224; 18.141 99.53; 99.536; 108.352 | 1874.4 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513628 | CIF | C32 H36 I N2 U | C 1 2/c 1 | 56.62; 15.9509; 24.5801 90; 115.031; 90 | 20114.3 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513629 | CIF | C32 H36 I4 N2 U2 | P n m a | 31.0498; 11.5475; 10.1812 90; 90; 90 | 3650.44 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513630 | CIF | C58 H40 B2 F12 N14 Rh2 | P -1 | 12.764; 13.196; 20.352 83.78; 72.12; 66.51 | 2991.7 | Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science, 2014, 5, 727 |
| 1513631 | CIF | C66 H44 B2 F12 N14 Rh2 | P -1 | 13.104; 13.114; 22.82 73.63; 86.21; 66.42 | 3443.5 | Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science, 2014, 5, 727 |
| 1513632 | CIF | C78 H54 B2 F12 N16 Rh2 | P 1 21/c 1 | 14.698; 26.636; 23.354 90; 123.59; 90 | 7616 | Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science, 2014, 5, 727 |
| 1513633 | CIF | C68 H53 B2 F8 N13 Rh2 | C 1 2/c 1 | 50.745; 19.81; 13.614 90; 99.7; 90 | 13490 | Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science, 2014, 5, 727 |
| 1513634 | CIF | C80 H63 B Cl F4 N15 Rh2 | P -1 | 10.056; 19.244; 19.431 97.18; 94.07; 102.62 | 3621.8 | Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science, 2014, 5, 727 |
| 1513635 | CIF | C15 H21 Co Li O6 | R -3 c :H | 16.272; 16.272; 10.968 90; 90; 120 | 2515 | Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V. Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures Chemical Science, 2014, 5, 813 |
| 1513636 | CIF | C48 H78 Co2 Li2 O18 | P -1 | 11.333; 12.275; 12.46 104.286; 107.918; 110.038 | 1424.1 | Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V. Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures Chemical Science, 2014, 5, 813 |
| 1513637 | CIF | C48 H78 Co2 Li2 O12 | P 1 21/n 1 | 12.815; 9.767; 21.674 90; 90.183; 90 | 2712.8 | Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V. Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures Chemical Science, 2014, 5, 813 |
| 1513638 | CIF | C48 H78 Co3 O18 | P 1 21/n 1 | 9.7761; 16.9962; 17.5593 90; 100.919; 90 | 2864.8 | Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V. Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures Chemical Science, 2014, 5, 813 |
| 1513639 | CIF | C52.5 H47 Cl N2 O6 | C 1 2/c 1 | 22.8894; 12.5211; 15.4873 90; 90.723; 90 | 4438.3 | Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state Chemical Science, 2014, 5, 608 |
| 1513640 | CIF | C60 H62 N2 O6 | P n a 21 | 22.956; 9.4115; 22.7754 90; 90; 90 | 4920.6 | Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state Chemical Science, 2014, 5, 608 |
| 1513641 | CIF | C61 H64 Cl2 N2 O6 | P 1 21/n 1 | 13.495; 14.896; 26.835 90; 99.08; 90 | 5326.8 | Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state Chemical Science, 2014, 5, 608 |
| 1513642 | CIF | C92 H84 Ag6 B6 Cl0 F24 N12 O24 | P -4 21 c | 22.7; 22.7; 24.198 90; 90; 90 | 12469 | Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun A controllable and dynamic assembly system based on discrete metallocages Chemical Science, 2014, 5, 483 |
| 1513643 | CIF | C92 H84 Ag6 N12 O24 | C 1 2/m 1 | 16.213; 23.949; 18.894 90; 105.065; 90 | 7084 | Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun A controllable and dynamic assembly system based on discrete metallocages Chemical Science, 2014, 5, 483 |
| 1513644 | CIF | C14 H14 B F5 N2 | P 21 21 21 | 6.4922; 12.393; 17.163 90; 90; 90 | 1380.9 | Choi, Sohee; Bouffard, Jean; Kim, Youngmi Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation Chemical Science, 2014, 5, 751 |
| 1513645 | CIF | C14 H17 B F2 N2 | P n m a | 11.3274; 7.1032; 16.0113 90; 90; 90 | 1288.3 | Choi, Sohee; Bouffard, Jean; Kim, Youngmi Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation Chemical Science, 2014, 5, 751 |
| 1513646 | CIF | C21 H22 Cl Cu N4 O10 Re | C 1 c 1 | 10.0183; 27.574; 9.4686 90; 95.291; 90 | 2604.5 | Easun, Timothy L.; Jia, Junhua; Reade, Thomas J.; Sun, Xue-Zhong; Davies, E. Stephen; Blake, Alexander J.; George, Michael W.; Champness, Neil R. Modification of coordination networks through a photoinduced charge transfer process Chemical Science, 2014, 5, 539 |
| 1513647 | CIF | C30 H44 F6 Li2 N4 O2 | P 1 21/n 1 | 9.593; 11.372; 15.779 90; 106.11; 90 | 1653.8 | Salomone, Antonio; Perna, Filippo M.; Falcicchio, Aurelia; Nilsson Lill, Sten O.; Moliterni, Anna; Michel, Reent; Florio, Saverio; Stalke, Dietmar; Capriati, Vito Direct observation of a lithiated oxirane: a synergistic study using spectroscopic, crystallographic, and theoretical methods on the structure and stereodynamics of lithiated ortho-trifluoromethyl styrene oxide Chemical Science, 2014, 5, 528 |
| 1513648 | CIF | C34 H36 B F10 P | P -1 | 13.2615; 14.2777; 17.565 101.998; 96.776; 91.48 | 3226.1 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
| 1513649 | CIF | C34 H38 B F10 P | P 1 21/n 1 | 10.7438; 17.8343; 18.545 90; 106.201; 90 | 3412.26 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
| 1513650 | CIF | C39 H41 B F10 N P | P -1 | 10.8542; 13.8552; 14.0717 102.35; 96.684; 111.631 | 1876.71 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
| 1513651 | CIF | C22 H35 P | P b c a | 9.7184; 11.6807; 35.4816 90; 90; 90 | 4027.79 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
| 1513652 | CIF | C39 H41 B F10 N P | C 1 2/c 1 | 38.3733; 9.777; 22.7086 90; 117.195; 90 | 7577.9 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
| 1513653 | CIF | C41 H37 B Cl2 F15 P | P 1 21/n 1 | 15.4992; 17.104; 15.7066 90; 93.555; 90 | 4155.78 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
| 1513654 | CIF | C46 H26 F15 Ge N5 O | P 21 21 21 | 8.9476; 15.748; 32.247 90; 90; 90 | 4543.8 | Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations Chemical Science, 2014, 5, 916 |
| 1513655 | CIF | C80 H32 F30 Ge2 N8 O2 | P -1 | 13.016; 15.843; 18.314 102.173; 103.316; 99.283 | 3503.9 | Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations Chemical Science, 2014, 5, 916 |
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