Crystallography Open Database
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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 |
1513656 | CIF | C10.5 H7.5 Cl0.75 N0.75 O17.88 V3 | I 4/m | 21.1256; 21.1256; 27.4118 90; 90; 90 | 12233.6 | Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science, 2014, 5, 927 |
1513657 | CIF | C21 H18 Cl1.5 N1.5 O24 V6 | P 4/n :2 | 21.0482; 21.0482; 21.648 90; 90; 90 | 9590.6 | Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science, 2014, 5, 927 |
1513658 | CIF | C83.5 H114.24 Ba2.5 Cl3 N12 O68.13 V12 | C 1 2/c 1 | 37.3416; 21.508; 36.8796 90; 109.771; 90 | 27873.6 | Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science, 2014, 5, 927 |
1513659 | CIF | C72 H24 Cl6 O207.75 V30 | R -3 c :H | 34.773; 34.773; 39.676 90; 90; 120 | 41547 | Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science, 2014, 5, 927 |
1513660 | CIF | C88 H56 Cl6 N8 O139 V26.2 | I 4/m | 21.1683; 21.1683; 27.3991 90; 90; 90 | 12277.5 | Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science, 2014, 5, 927 |
1513661 | CIF | C42 H45 Fe N3 | P -1 | 10.3857; 12.5498; 13.3966 80.96; 86.06; 89.464 | 1720.33 | Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J. Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical Chemical Science, 2014, 5, 1168 |
1513662 | CIF | C40 H41 Fe N3 | P 1 21/n 1 | 21.344; 14.623; 23.427 90; 116.242; 90 | 6558 | Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J. Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical Chemical Science, 2014, 5, 1168 |
1513663 | CIF | C96 H116 Fe2 N10 O | P 1 21 1 | 11.5779; 23.3582; 15.6591 90; 101.95; 90 | 4143.1 | Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J. Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical Chemical Science, 2014, 5, 1168 |
1513666 | CIF | C21 H17 N5 O3 | P 21 21 21 | 5.1209; 13.4823; 26.8004 90; 90; 90 | 1850.34 | Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V. Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines Chemical Science, 2014, 5, 1102 |
1513667 | CIF | C14 H15 N3 O3 S | P b c a | 7.6612; 13.3624; 28.3524 90; 90; 90 | 2902.49 | Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V. Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines Chemical Science, 2014, 5, 1102 |
1513668 | CIF | C39 H36 N4 Si | P -1 | 8.265; 11.375; 17.895 105.856; 99.89; 94.67 | 1579.6 | London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins Chemical Science, 2014, 5, 965 |
1513669 | CIF | C45 H42 Cl2 N2 O4 Si | P 1 21/c 1 | 20.094; 17.545; 24.43 90; 112.452; 90 | 7960 | London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins Chemical Science, 2014, 5, 965 |
1513670 | CIF | C39 H38 O2 Si | P -1 | 14.703; 14.833; 15.051 85.804; 87.16; 66.309 | 2997 | London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins Chemical Science, 2014, 5, 965 |
1513671 | CIF | C34 H36.5 O3.25 Si | C 1 2/c 1 | 38.218; 19.296; 8.514 90; 90.665; 90 | 6278 | London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins Chemical Science, 2014, 5, 965 |
1513672 | CIF | C33 H36 Si | P 1 21/c 1 | 8.8447; 18.3363; 17.4324 90; 114.902; 90 | 2564.3 | London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins Chemical Science, 2014, 5, 965 |
1513673 | CIF | C26 H44 Cl4 N4 P4 | P -1 | 11.5705; 12.2221; 13.6923 111.408; 105.64; 97.431 | 1679.03 | Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science, 2014, 5, 1064 |
1513674 | CIF | C25 H42 Cl2 N4 P4 | C 1 2/c 1 | 18.4786; 10.3968; 16.676 90; 109.266; 90 | 3024.3 | Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science, 2014, 5, 1064 |
1513675 | CIF | C21 H40 Cl10 Ga2 N6 P2 Si2 | P 1 21/c 1 | 18.2251; 16.1902; 16.0587 90; 115.528; 90 | 4275.8 | Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science, 2014, 5, 1064 |
1513676 | CIF | C16 H29 F3 N O3 P S Si | P -1 | 11.1833; 16.4208; 19.4337 67.276; 82.19; 83.223 | 3252.83 | Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science, 2014, 5, 1064 |
1513677 | CIF | C16 H25 F3 N O3 P S Si | P 1 21/n 1 | 8.7479; 10.5358; 42.6705 90; 93.724; 90 | 3924.5 | Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science, 2014, 5, 1064 |
1513678 | CIF | C14 H25 Cl2 F3 N O4 P S | P n a 21 | 17.333; 8.3372; 14.4037 90; 90; 90 | 2081.5 | Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science, 2014, 5, 1064 |
1513679 | CIF | C36.81 H51.21 Mo N4 O3 P4 | P -1 | 9.1199; 13.8435; 17.1181 70.892; 88.485; 89.599 | 2041.39 | Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science, 2014, 5, 1064 |
1513680 | CIF | C27 H40 Mo N4 O3 P4 | P 1 21/c 1 | 9.0715; 18.1902; 18.4948 90; 94.483; 90 | 3042.5 | Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science, 2014, 5, 1064 |
1513681 | CIF | C31 H40 N4 O7 P4 W2 | P 1 21/c 1 | 20.4707; 20.2868; 18.9919 90; 110.519; 90 | 7386.7 | Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science, 2014, 5, 1064 |
1513682 | CIF | C12 H15 Mo N3 O3 | P 1 21/m 1 | 5.9362; 13.8472; 9.4 90; 97.888; 90 | 765.37 | Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science, 2014, 5, 1064 |
1513683 | CIF | C27 H43 B2 Mg N3 O5 | P 1 21/c 1 | 9.29; 24.265; 13.856 90; 106.244; 90 | 2998.8 | Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D. Magnesium-catalyzed hydroboration of esters: evidence for a new zwitterionic mechanism Chemical Science, 2014, 5, 959 |
1513684 | CIF | C52 H74 B2 Mg2 N6 O8 | P 1 21/c 1 | 10.4348; 19.441; 14.262 90; 99.963; 90 | 2849.6 | Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D. Magnesium-catalyzed hydroboration of esters: evidence for a new zwitterionic mechanism Chemical Science, 2014, 5, 959 |
1513685 | CIF | C120 H162 N2 O12 Se2 U2 | P -1 | 14.6186; 14.8584; 27.0913 90.0175; 93.0811; 116.842 | 5240.86 | Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes Chemical Science, 2014, 5, 942 |
1513686 | CIF | C123.5 H151.5 N2 O6 Se3.86 U2 | P -1 | 11.2872; 16.8161; 28.943 85.729; 87.925; 89.368 | 5474.5 | Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes Chemical Science, 2014, 5, 942 |
1513687 | CIF | C130 H164 N2 O8 Se4.11 U2 | P 1 21/c 1 | 18.092; 12.365; 28.315 90; 118.117; 90 | 5586.8 | Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes Chemical Science, 2014, 5, 942 |
1513688 | CIF | C236 H314 N4 O22 S8 U4 | P -1 | 20.544; 22.5155; 24.1171 88.407; 84.055; 75.504 | 10742.3 | Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes Chemical Science, 2014, 5, 942 |
1513693 | CIF | C38 H29 N O2 | P -1 | 7.2711; 11.9307; 29.9623 95.055; 95.38; 95.045 | 2565.54 | Shi, Ke; Lei, Ting; Wang, Xiao-Ye; Wang, Jie-Yu; Pei, Jian A bowl-shaped molecule for organic field-effect transistors: crystal engineering and charge transport switching by oxygen doping Chemical Science, 2014, 5, 1041 |
1513694 | CIF | C9 H29 Al F3 N3 O4 | P b c a | 8.8131; 13.356; 26.551 90; 90; 90 | 3125.3 | Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science, 2014, 5, 381 |
1513695 | CIF | C9 H29 F3 Ga N3 O4 | P 1 21/c 1 | 13.42; 8.871; 13.542 90; 97.816; 90 | 1597.2 | Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science, 2014, 5, 381 |
1513696 | CIF | C9 H29 F3 In N3 O4 | P 1 21/n 1 | 6.8679; 20.187; 12.014 90; 99.482; 90 | 1642.9 | Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science, 2014, 5, 381 |
1513697 | CIF | C15 H27 F3 In N3 O1.2 | P 1 21/n 1 | 6.7721; 13.666; 18.998 90; 96.106; 90 | 1748.2 | Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science, 2014, 5, 381 |
1513698 | CIF | C9 H21 Al Cl3 N3 | P 1 21/c 1 | 12.128; 7.185; 15.695 90; 90.07; 90 | 1367.7 | Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science, 2014, 5, 381 |
1513699 | CIF | C9 H21 Cl3 Ga N3 | P 1 21/c 1 | 12.173; 7.2253; 15.696 90; 90.239; 90 | 1380.5 | Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science, 2014, 5, 381 |
1513700 | CIF | C10 H23 Br3 Cl2 In N3 | C 1 2/c 1 | 16.276; 16.175; 14.815 90; 105.595; 90 | 3756.7 | Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science, 2014, 5, 381 |
1513701 | CIF | C15 H25 Cl3 In N3 | P 1 21/c 1 | 7.2893; 15.026; 18.528 90; 100.924; 90 | 1992.6 | Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science, 2014, 5, 381 |
1513702 | CIF | C21 H51 Br3 Cl6 Ga2 N6 O3 | P 63/m | 12.979; 12.979; 13.565 90; 90; 120 | 1978.9 | Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science, 2014, 5, 381 |
1513703 | CIF | C12 H36 Al2 F9 N3 | P 63/m | 7.997; 7.997; 18.178 90; 90; 120 | 1006.8 | Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science, 2014, 5, 381 |
1513704 | CIF | C19 H14 F3 N O5 | P -1 | 5.512; 10.789; 14.89 88.566; 81.672; 83.072 | 869.7 | Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins Chemical Science, 2014, 5, 410 |
1513705 | CIF | C20 H13 F6 N O6 | C 1 2/c 1 | 22.067; 6.117; 29.455 90; 92.449; 90 | 3972 | Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins Chemical Science, 2014, 5, 410 |
1513706 | CIF | C19 H14 F3 N O5 | P -1 | 5.877; 11.649; 12.864 87.422; 81.769; 83.004 | 864.8 | Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins Chemical Science, 2014, 5, 410 |
1513707 | CIF | C20 H13 F6 N O6 | P 1 21/c 1 | 10.5731; 28.9962; 13.1962 90; 94.339; 90 | 4034.1 | Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins Chemical Science, 2014, 5, 410 |
1513708 | CIF | C19 F3 Fe N7 O3 S2 | P n m a | 24.2856; 12.7122; 9.1833 90; 90; 90 | 2835.1 | Hong, Seungwoo; Lee, Yong-Min; Cho, Kyung-Bin; Seo, Mi Sook; Song, Dayoung; Yoon, Jihae; Garcia-Serres, Ricardo; Clémancey, Martin; Ogura, Takashi; Shin, Woonsup; Latour, Jean-Marc; Nam, Wonwoo Conversion of high-spin iron(iii)‒alkylperoxo to iron(iv)‒oxo species via O‒O bond homolysis in nonheme iron models Chemical Science, 2014, 5, 156 |
1513712 | CIF | C17 H13 Br F2 O2 | P 1 21 1 | 18.0913; 7.5678; 22.361 90; 93.183; 90 | 3056.8 | Zhang, Qi; Nguyen, Hien M. Rhodium-catalyzed regioselective opening of vinyl epoxides with Et3N·3HF reagent ‒ formation of allylic fluorohydrins Chemical Science, 2014, 5, 291 |
1513713 | CIF | C34 H55 Cu6 F N12 O5 | P 1 21/m 1 | 9.9429; 22.741; 10.5329 90; 111.939; 90 | 2209.1 | Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure Chemical Science, 2014, 5, 324 |
1513714 | CIF | C33 H52 Cl3 Cu6 N13 O6 | R -3 :H | 19.873; 19.873; 9.9681 90; 90; 120 | 3409.34 | Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure Chemical Science, 2014, 5, 324 |
1513715 | CIF | C30 H48 Cu6 N12 O6 | R -3 :H | 20.1726; 20.1726; 10.1341 90; 90; 120 | 3571.4 | Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure Chemical Science, 2014, 5, 324 |
1513716 | CIF | C30 H48 Cu6 N12 O6 | R -3 :H | 19.8969; 19.8969; 9.9518 90; 90; 120 | 3411.95 | Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure Chemical Science, 2014, 5, 324 |
1513717 | CIF | C92 H162 Cr7 F8 N Ni O35 | C 1 2/c 1 | 55.3514; 16.6288; 32.7345 90; 115.557; 90 | 27181.7 | Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P. The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings Chemical Science, 2014, 5, 235 |
1513718 | CIF | C94 H167 Cr7 F8 N2 Ni O34 | P 1 21/c 1 | 25.0881; 16.4808; 33.9931 90; 91.685; 90 | 14049.1 | Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P. The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings Chemical Science, 2014, 5, 235 |
1513719 | CIF | C98 H175 Cr7 F8 N2 Ni O34 | P 1 21/n 1 | 16.2899; 30.037; 29.588 90; 97.377; 90 | 14357.6 | Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P. The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings Chemical Science, 2014, 5, 235 |
1513720 | CIF | C359 H630 Cr28 Cu4 F32 N4 Ni4 O141 | P 4/n c c :2 | 42.289; 42.289; 31.7707 90; 90; 90 | 56817.4 | Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P. The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings Chemical Science, 2014, 5, 235 |
1513721 | CIF | C549 H930 Cr42 F48 N6 Ni6 O207 Zn4 | P 1 21/n 1 | 39.9717; 48.6332; 43.5363 90; 91.283; 90 | 84611 | Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P. The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings Chemical Science, 2014, 5, 235 |
1513722 | CIF | C23.5 H56 Si6 | C 1 2/c 1 | 17.135; 9.4044; 20.723 90; 101.54; 90 | 3271.9 | Tibbelin, Julius; Wallner, Andreas; Emanuelsson, Rikard; Heijkenskjöld, Filip; Rosenberg, Martin; Yamazaki, Kaoru; Nauroozi, Djawed; Karlsson, Leif; Feifel, Raimund; Pettersson, Roland; Baumgartner, Judith; Ott, Sascha; Ottosson, Henrik 1,4-Disilacyclohexa-2,5-diene: a molecular building block that allows for remarkably strong neutral cyclic cross-hyperconjugation Chemical Science, 2014, 5, 360 |
1513723 | CIF | C79.72 H78.59 F48 N14.86 P8 | P -1 | 16.6223; 22.9236; 29.6344 71.154; 78.075; 73.175 | 10149.1 | Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser Topological isomerism in a chiral handcuff catenane Chemical Science, 2014, 5, 90 |
1513724 | CIF | C125 H139 F48 N15 O15 P8 | P -1 | 16.475; 18.609; 25.278 105.106; 99.281; 93.008 | 7348 | Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser Topological isomerism in a chiral handcuff catenane Chemical Science, 2014, 5, 90 |
1513725 | CIF | C110 H118 F48 N8 O14 P8 | P 1 21/n 1 | 20.0951; 31.3942; 24.2862 90; 94.082; 90 | 15282.6 | Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser Topological isomerism in a chiral handcuff catenane Chemical Science, 2014, 5, 90 |
1513726 | CIF | K19 O223.5 P8 U31 | P -4 21 c | 41; 41; 32.818 90; 90; 90 | 55167 | Qiu, Jie; Ling, Jie; Jouffret, Laurent; Thomas, Rebecca; Szymanowski, Jennifer E. S.; Burns, Peter C. Water-soluble multi-cage super tetrahedral uranyl peroxide phosphate clusters Chemical Science, 2014, 5, 303 |
1513727 | CIF | C42 H34 | C 1 2/c 1 | 14.515; 15.214; 13.3114 90; 99.134; 90 | 2902.3 | Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame Chemical Science, 2014, 5, 163 |
1513728 | CIF | C50 H34 Cl2 N2 O2 | P 1 21/c 1 | 9.251; 18.592; 22.277 90; 94.409; 90 | 3820 | Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame Chemical Science, 2014, 5, 163 |
1513729 | CIF | C45 H40 O3 | P 1 21/c 1 | 8.266; 18.71; 21.637 90; 90.739; 90 | 3346 | Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame Chemical Science, 2014, 5, 163 |
1513730 | CIF | C90 H73 Cl | P -1 | 8.5044; 19.248; 20.4545 82.0704; 78.1032; 82.3308 | 3225.9 | Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame Chemical Science, 2014, 5, 163 |
1513732 | CIF | C24 H27 N3 O5 | P -1 | 8.9819; 10.28; 13.008 86.49; 73.036; 79.688 | 1130.21 | Zhang, Yan; Wu, Qifan; Cui, Sunliang Rh(iii)-catalyzed C‒H activation‒desymmetrization of diazabicycles with arenes: facile synthesis of functionalized cyclopentenes Chemical Science, 2014, 5, 297 |
1513839 | CIF | C27 H37 N2 P | C 1 2/c 1 | 20.0613; 6.9855; 38.187 90; 102.741; 90 | 5219.7 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
1513840 | CIF | C58 H80 Cl N4 O P3 | P 1 21/c 1 | 17.0305; 21.4738; 16.7809 90; 115.996; 90 | 5516 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
1513841 | CIF | C72 H116 Cl N4 O3 P7 Si2 | P 1 21/n 1 | 22.3995; 12.1255; 29.5997 90; 90.82; 90 | 8038.6 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
1513842 | CIF | C54 H72 N4 P3 | P -1 | 11.9151; 13.5428; 15.8914 85.68; 89.601; 79.255 | 2512.11 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
1513843 | CIF | C66 H96 As Cl N4 O3 P2 | C 1 2/c 1 | 24.928; 14.103; 17.8654 90; 92.468; 90 | 6274.9 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
1513844 | CIF | C54 H72 As N4 P2 | C 1 c 1 | 10.2682; 42.469; 24.23 90; 92.756; 90 | 10554 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
1513845 | CIF | C60 H78 N4 O4 P6 | P 1 21/n 1 | 23.6782; 18.3268; 29.7342 90; 103.981; 90 | 12520.8 | Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science, 2014, 5, 1545 |
1513846 | CIF | C39 H40 Cl4 F6 N3 O6 P2 Pt S2 | C 1 2/c 1 | 20.729; 16.7382; 13.9693 90; 93.679; 90 | 4836.9 | Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science, 2014, 5, 1305 |
1513847 | CIF | C60 H61 F12 K N3 O13 P3 Pt S4 | P -1 | 13.778; 14.772; 17.476 84.622; 82.6; 83.819 | 3495.21 | Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science, 2014, 5, 1305 |
1513848 | CIF | C48 H64 F12 N3 O3.5 P4 Rh | P 1 21/c 1 | 13.854; 22.376; 19.553 90; 109.609; 90 | 5709.8 | Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science, 2014, 5, 1305 |
1513849 | CIF | C38 H40 Cl5 F6 N3 O6 P2 Pt S2 | C 1 2/c 1 | 26.8737; 12.5922; 16.0468 90; 120.726; 90 | 4667.93 | Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science, 2014, 5, 1305 |
1513850 | CIF | C120 H126 F24 N6 O4 P10 Rh2 | P 1 21/c 1 | 15.7239; 17.5295; 23.5911 90; 106.188; 90 | 6244.7 | Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science, 2014, 5, 1305 |
1513851 | CIF | C56 H44 Ca2 F12 N12 O16 S4 | P -1 | 11.2305; 12.1307; 13.8812 97.683; 111.479; 105.007 | 1643.89 | Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science, 2014, 5, 1475 |
1513852 | CIF | C26 H30 Ca Cl2 N8 O | P 1 21/c 1 | 13.9231; 13.4981; 15.7366 90; 104.682; 90 | 2860.9 | Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science, 2014, 5, 1475 |
1513853 | CIF | C13 H10 Ca F6 N4 O6 S2 | P -1 | 8.8738; 10.2258; 11.11 92.066; 98.016; 100.127 | 980.84 | Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science, 2014, 5, 1475 |
1513854 | CIF | C33 H29 Ca Cl2 N12 O8 | C 1 2/c 1 | 11.208; 19.89; 18.423 90; 96.346; 90 | 4081.8 | Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science, 2014, 5, 1475 |
1513855 | CIF | C58 H57 Ca2 N15 O8 | P -1 | 12.8935; 14.4392; 18.0468 92.81; 107.021; 114.714 | 2861 | Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science, 2014, 5, 1475 |
1513856 | CIF | C11 H20 Au Cl N4 O | P -1 | 7.5169; 9.9819; 10.683 113.158; 90.038; 98.162 | 728.12 | Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]− Chemical Science, 2014, 5, 1348 |
1513857 | CIF | C12 H16 Au2 N6 | C 1 2/m 1 | 15.634; 6.3008; 8.0648 90; 108.223; 90 | 754.59 | Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]− Chemical Science, 2014, 5, 1348 |
1513858 | CIF | C20 H20 Ag Au N6 | P 1 21/c 1 | 9.3279; 17.2846; 6.7132 90; 105.46; 90 | 1043.2 | Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]− Chemical Science, 2014, 5, 1348 |
1513859 | CIF | C9 H10 Au0.5 Cl0.5 N2 O | P -1 | 4.1212; 10.9295; 14.0406 67.288; 81.57; 89.986 | 575.98 | Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]− Chemical Science, 2014, 5, 1348 |
1513860 | CIF | C18 H23 O2 P | P 1 21 1 | 8.802; 10.1477; 10.3699 90; 114.98; 90 | 839.6 | Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J. Consecutive dynamic resolutions of phosphine oxides Chemical Science, 2014, 5, 1322 |
1513861 | CIF | C17 H21 O2 P | C 1 2 1 | 21.4308; 6.089; 13.0171 90; 116.36; 90 | 1522.01 | Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J. Consecutive dynamic resolutions of phosphine oxides Chemical Science, 2014, 5, 1322 |
1513862 | CIF | C14 H11 N O | P 1 21/c 1 | 25.1525; 11.425; 7.5575 90; 94.475; 90 | 2165.16 | Duan, Pingping; Yang, Yunfang; Ben, Rong; Yan, Yiyong; Dai, Lu; Hong, Mei; Wu, Yun-Dong; Wang, Dongqi; Zhang, Xinhao; Zhao, Jing Palladium-catalyzed benzo[d]isoxazole synthesis by C‒H activation/[4 + 1] annulation Chemical Science, 2014, 5, 1574 |
1513863 | CIF | C33 H24.67 O13 Zn2.67 | P 2 3 | 23.9647; 23.9647; 23.9647 90; 90; 90 | 13763.1 | Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption Chemical Science, 2014, 5, 1368 |
1513864 | CIF | C49.5 H36 N0 O19 Zn4 | R -3 c :H | 26.669; 26.669; 86.622 90; 90; 120 | 53355 | Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption Chemical Science, 2014, 5, 1368 |
1513865 | CIF | C45 H51 Cr N3 P3 | P 21 21 21 | 13.0611; 16.5349; 22.6345 90; 90; 90 | 4888.2 | Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science, 2014, 5, 1617 |
1513866 | CIF | C45 H51 Cr Fe I N3 P3 | P a -3 | 20.6666; 20.6666; 20.6666 90; 90; 90 | 8826.9 | Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science, 2014, 5, 1617 |
1513867 | CIF | C45 H51 Co Cr I N3 P3 | P a -3 | 20.6768; 20.6768; 20.6768 90; 90; 90 | 8839.95 | Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science, 2014, 5, 1617 |
1513868 | CIF | C48 H60 Cr Fe N3 P4 | P -3 c 1 | 16.2739; 16.2739; 23.1328 90; 90; 120 | 5305.69 | Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science, 2014, 5, 1617 |
1513869 | CIF | C48 H60 Co Cr N3 P4 | P -3 c 1 | 16.2999; 16.2999; 22.8438 90; 90; 120 | 5256.2 | Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science, 2014, 5, 1617 |
1513870 | CIF | C48 H57 Cr Cu I N3 O0.75 P3 | P -1 | 10.7036; 22.2854; 22.5333 61.763; 81.327; 87.515 | 4678.8 | Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science, 2014, 5, 1617 |
1513871 | CIF | C17 H18 O2 S | P 21 21 21 | 5.673; 8.3677; 31.795 90; 90; 90 | 1509.3 | Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids Chemical Science, 2014, 5, 1442 |
1513872 | CIF | C17 H17 O5 P | P 21 21 21 | 6.6316; 9.2654; 26.038 90; 90; 90 | 1599.9 | Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids Chemical Science, 2014, 5, 1442 |
1513873 | CIF | C29 H25 O5 P | C 1 2 1 | 25.33; 6.664; 16.09 90; 121.291; 90 | 2320.9 | Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids Chemical Science, 2014, 5, 1442 |
1513874 | CIF | C56 H83 O7 P | P 1 21 1 | 11.779; 17.451; 13.849 90; 110.544; 90 | 2665.7 | Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids Chemical Science, 2014, 5, 1442 |
1513875 | CIF | C70 H66 Cl2 O19 P4 Rh2 | P 21 21 21 | 16.527; 18.866; 26.157 90; 90; 90 | 8156 | Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids Chemical Science, 2014, 5, 1442 |
1513876 | CIF | C27 H27 Er N4 O3 | P -3 c 1 | 12.9479; 12.9479; 16.3112 90; 90; 120 | 2368.18 | Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation Chemical Science, 2014, 5, 1650 |
1513877 | CIF | C30 H30 Er I3 N4 O3 | P -3 | 13.0245; 13.0245; 11.15 90; 90; 120 | 1638 | Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation Chemical Science, 2014, 5, 1650 |
1513878 | CIF | C27 H24 Cl3 Er N4 O3 | P 1 21/n 1 | 12.5689; 15.0967; 14.9942 90; 109.98; 90 | 2673.89 | Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation Chemical Science, 2014, 5, 1650 |
1514137 | CIF | C27 H35 Cl3 Fe N2 O | P b c a | 15.98; 14.393; 24.368 90; 90; 90 | 5604.6 | Hennessy, Elisabeth T.; Liu, Richard Y.; Iovan, Diana A.; Duncan, Ryan A.; Betley, Theodore A. Iron-mediated intermolecular N-group transfer chemistry with olefinic substrates Chemical Science, 2014, 5, 1526 |
1514138 | CIF | C18 H17 Cl O4 | P 1 21 1 | 6.6348; 11.6431; 10.7797 90; 99.155; 90 | 822.12 | Manna, Madhu Sudan; Mukherjee, Santanu Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione Chemical Science, 2014, 5, 1627 |
1514139 | CIF | C17 H18 O2 | P 21 21 21 | 6.569; 13.286; 17.05 90; 90; 90 | 1488 | Manna, Madhu Sudan; Mukherjee, Santanu Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione Chemical Science, 2014, 5, 1627 |
1514140 | CIF | C18 H15 Cl O4 | P 21 21 21 | 6.465; 16.927; 29.143 90; 90; 90 | 3189 | Manna, Madhu Sudan; Mukherjee, Santanu Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione Chemical Science, 2014, 5, 1627 |
1514274 | CIF | C17 H40 Mo N2 O6 | P 1 21/n 1 | 14.997; 8.3386; 17.151 90; 99.979; 90 | 2112.4 | Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C. Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation Chemical Science, 2014, 5, 1772 |
1514275 | CIF | C82 H72 Mo N6 O8 P4 | P 1 21 1 | 10.7577; 13.0244; 25.943 90; 90.884; 90 | 3634.5 | Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C. Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation Chemical Science, 2014, 5, 1772 |
1514276 | CIF | C80 H80 Cl6 Mo N2 O7 P4 | P 1 21/c 1 | 21.931; 12.235; 26.654 90; 92.141; 90 | 7147 | Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C. Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation Chemical Science, 2014, 5, 1772 |
1514277 | CIF | C19 H16 O4 | P 1 21/n 1 | 9.5528; 10.1091; 16.166 90; 104.844; 90 | 1509.05 | Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O. Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes Chemical Science, 2014, 5, 1777 |
1514278 | CIF | C19 H18 O5 | P 1 21/c 1 | 10.7552; 10.1502; 14.9906 90; 93.447; 90 | 1633.52 | Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O. Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes Chemical Science, 2014, 5, 1777 |
1514279 | CIF | C19 H18 O5 | P 21 21 21 | 5.6981; 8.6185; 32.841 90; 90; 90 | 1612.8 | Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O. Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes Chemical Science, 2014, 5, 1777 |
1514280 | CIF | C19 H16 O4 | P 1 21/c 1 | 13.4714; 5.8443; 19.1637 90; 103.276; 90 | 1468.45 | Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O. Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes Chemical Science, 2014, 5, 1777 |
1514281 | CIF | C27 H44 Cl2 N O4 P2 Re | P 1 21/c 1 | 13.2321; 15.7048; 16.7382 90; 114.833; 90 | 3156.7 | Vogt, Matthias; Nerush, Alexander; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Reversible CO2 binding triggered by metal‒ligand cooperation in a rhenium(i) PNP pincer-type complex and the reaction with dihydrogen Chemical Science, 2014, 5, 2043 |
1514289 | CIF | C49 H78 F15 N8 O26 Re S5 | P 1 21/c 1 | 12.949; 17.658; 32.897 90; 90.081; 90 | 7522 | Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik Fluorescent sensing of 99Tc pertechnetate in water Chemical Science, 2014, 5, 1820 |
1514290 | CIF | C49 H78 F15 N8 O26 S5 Tc | P 1 21/c 1 | 13.0099; 17.557; 32.9333 90; 89.226; 90 | 7521.8 | Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik Fluorescent sensing of 99Tc pertechnetate in water Chemical Science, 2014, 5, 1820 |
1514291 | CIF | C11 H10 F2 O2 | P -1 | 4.865; 7.057; 15.151 88.73; 84.04; 82.71 | 513.15 | Lu, Wei; Gao, Juan; Yang, Jing-Kui; Liu, Lei; Zhao, Yuliang; Wu, Hai-Chen Regioselective alkyl transfer from phosphonium ylides to functionalized polyfluoroarenes Chemical Science, 2014, 5, 1934 |
1514292 | CIF | C20 H19 Cl N2 O4 | P 1 21 1 | 11.1925; 8.1206; 21.465 90; 101.402; 90 | 1912.4 | Xu, Biao; Shi, Li-Li; Zhang, Yu-Zu; Wu, Zhi-Jun; Fu, Li-Na; Luo, Chun-Qin; Zhang, Lan-Xi; Peng, Yun-Gui; Guo, Qi-Xiang Catalytic asymmetric direct α-alkylation of amino esters by aldehydes via imine activation Chemical Science, 2014, 5, 1988 |
1514293 | CIF | C66 H62 Al Co N2 O8 | P 21 21 21 | 11.5495; 21.268; 28.17 90; 90; 90 | 6919.5 | Mulzer, Michael; Ellis, W. Chadwick; Lobkovsky, Emil B.; Coates, Geoffrey W. Enantioenriched β-lactone and aldol-type products from regiodivergent carbonylation of racemic cis-epoxides Chemical Science, 2014, 5, 1928 |
1514294 | CIF | C19 H22 F3 N O2 S | P 1 21 1 | 5.7359; 17.005; 9.7453 90; 102.621; 90 | 927.58 | Buesking, Andrew W.; Ellman, Jonathan A. Convergent, asymmetric synthesis of vicinal amino alcohols via Rh-catalyzed addition of α-amido trifluoroborates to carbonyls Chemical Science, 2014, 5, 1983 |
1514295 | CIF | C37 H30 F3 N3 O3 Pt S | P b c a | 14.0939; 19.1285; 26.663 90; 90; 90 | 7188.2 | Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters Chemical Science, 2014, 5, 1875 |
1514296 | CIF | C35 H20 Cl2 F9 N3 O3 Pt S | P -1 | 10.3618; 12.3271; 14.6981 81.352; 88.049; 80.752 | 1831.8 | Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters Chemical Science, 2014, 5, 1875 |
1514297 | CIF | C25 H21 Br N2 O3 | P 1 21 1 | 9.7989; 9.7523; 22.829 90; 90.326; 90 | 2181.5 | Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes Chemical Science, 2014, 5, 1799 |
1514298 | CIF | C11 H8 F3 N O4 | P 1 21/n 1 | 14.395; 10.661; 15.136 90; 95.588; 90 | 2311.8 | Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes Chemical Science, 2014, 5, 1799 |
1514299 | CIF | C25 H22 N2 O2 | P -4 21 c | 21.2628; 21.2628; 9.0321 90; 90; 90 | 4083.5 | Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes Chemical Science, 2014, 5, 1799 |
1514300 | CIF | C21 H20 Br N O4 | P 1 21 1 | 10.3326; 6.3617; 14.1521 90; 96.731; 90 | 923.85 | Stiller, Julian; Poulsen, Pernille H.; Cruz, David Cruz; Dourado, Jorge; Davis, Rebecca L.; Jørgensen, Karl Anker Organocatalytic [4+2] addition reactions via tetraenamine intermediate Chemical Science, 2014, 5, 2052 |
1514301 | CIF | C30 H22 N10 O2.88 | P 1 21/n 1 | 4.188; 21.206; 30.008 90; 91.247; 90 | 2664 | Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science, 2014, 5, 1833 |
1514302 | CIF | C33 H23 Cl3 Fe N6 | P -1 | 11.4645; 16.4498; 16.6038 105.696; 102.138; 95.838 | 2904.99 | Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science, 2014, 5, 1833 |
1514303 | CIF | C62 H37 Cl2 N15 O6 Re2 | C 1 2/c 1 | 40; 7.73; 19.823 90; 97.713; 90 | 6074 | Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science, 2014, 5, 1833 |
1514304 | CIF | C28 H18 Ag F6 N6 Sb | P -1 | 11.1876; 12.2069; 12.521 112.398; 100.82; 90.607 | 1546.5 | Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science, 2014, 5, 1833 |
1514305 | CIF | C64 H52.5 B0 Cl F0 Fe2 N13 O2.75 Pd Pt0.5 | P -1 | 14.809; 21.668; 24.158 105.56; 94.22; 90.62 | 7444 | Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science, 2014, 5, 1833 |
1514308 | CIF | C50.5 H87 Cl2 Co2 N2 P4 | C 1 2/c 1 | 29.522; 11.3531; 16.459 90; 102.536; 90 | 5385 | Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science, 2014, 5, 1956 |
1514309 | CIF | C20 H38 Co I N P2 | P 1 21/c 1 | 15.6128; 9.7824; 16.1191 90; 106.659; 90 | 2358.55 | Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science, 2014, 5, 1956 |
1514310 | CIF | C37 H49 Co N P2 | P -1 | 10.4893; 11.4272; 16.7767 75.494; 74.128; 64.032 | 1718.98 | Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science, 2014, 5, 1956 |
1514311 | CIF | C22 H45 Co N P3 | P 1 21/c 1 | 13.885; 11.36; 16.179 90; 94.627; 90 | 2543.7 | Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science, 2014, 5, 1956 |
1514312 | CIF | C25 H51 Co N P3 | P -1 | 10.0117; 10.3818; 15.817 95.298; 96.632; 116.746 | 1438.9 | Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science, 2014, 5, 1956 |
1514313 | CIF | C19 H38 Co N P2 | C 1 2/c 1 | 19.236; 9.591; 11.786 90; 100.635; 90 | 2137.1 | Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science, 2014, 5, 1956 |
1514314 | CIF | C24 H17 O2 Sb | P 1 21/c 1 | 9.8268; 14.9773; 13.5372 90; 111.255; 90 | 1856.9 | Hirai, Masato; Gabbaï, François P. Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations Chemical Science, 2014, 5, 1886 |
1514315 | CIF | C30 H31 Cl4 F N3 O2 S Sb | P 1 21/c 1 | 10.0011; 21.4018; 16.9437 90; 122.404; 90 | 3062 | Hirai, Masato; Gabbaï, François P. Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations Chemical Science, 2014, 5, 1886 |
1514316 | CIF | C38 H37 F N3 O4 S Sb | P 21 21 21 | 14.7131; 16.7493; 27.433 90; 90; 90 | 6760.4 | Hirai, Masato; Gabbaï, François P. Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations Chemical Science, 2014, 5, 1886 |
1514318 | CIF | C22 H24 Mo N2 O4 | P b c a | 17.9132; 11.6738; 21.3034 90; 90; 90 | 4454.9 | Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science, 2014, 5, 1894 |
1514319 | CIF | C49 H80 K2 N2 O16 W | P n m a | 29.9821; 15.8708; 11.837 90; 90; 90 | 5632.5 | Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science, 2014, 5, 1894 |
1514320 | CIF | C22 H24 N2 O4 W | P b c a | 17.8251; 11.6986; 21.3193 90; 90; 90 | 4445.7 | Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science, 2014, 5, 1894 |
1514321 | CIF | C30 H40 K N2 O11 W | P 1 21/c 1 | 12.213; 18.7469; 15.488 90; 107.674; 90 | 3378.69 | Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science, 2014, 5, 1894 |
1514341 | CIF | C27 H50 N2 O8 S2 | P -1 | 6.53547; 9.4651; 26.193 83.956; 84.79; 89.716 | 1604.59 | Köstereli, Ziya; Scopelliti, Rosario; Severin, Kay Pattern-based sensing of aminoglycosides with fluorescent amphiphiles Chemical Science, 2014, 5, 2456 |
1514359 | CIF | C217 H85 Cl23 Dy2 N24 O | P 1 21/c 1 | 16.6402; 27.6773; 39.7657 90; 90.466; 90 | 18313.7 | Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM Chemical Science, 2014, 5, 3214 |
1514360 | CIF | C136 H40 Cl4 Dy N12 O0 | C 1 2/c 1 | 22.5698; 15.6246; 24.1908 90; 96.681; 90 | 8472.8 | Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM Chemical Science, 2014, 5, 3214 |
1514361 | CIF | C220 H60 Cl8 Dy N12 O0 | P 1 21/c 1 | 19.3998; 28.3596; 24.7203 90; 90; 90 | 13600.4 | Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM Chemical Science, 2014, 5, 3214 |
1514376 | CIF | C25 H27 F18 N O2 W | P -1 | 15.3435; 17.6683; 21.002 65.712; 71.109; 68.54 | 4728 | Mougel, V.; Copéret, C. Magnitude and consequences of OR ligand σ-donation on alkene metathesis activity in d0 silica supported (SiO)W(NAr)(CHtBu)(OR) catalysts Chemical Science, 2014, 5, 2475 |
1514377 | CIF | C110 H134 Cl13 N8 O6 P | C 1 2/c 1 | 43.4252; 8.333; 36.214 90; 113.942; 90 | 11977 | Furuyama, Taniyuki; Yoshida, Takuya; Hashizume, Daisuke; Kobayashi, Nagao Phosphorus(v) tetraazaporphyrins: porphyrinoids showing an exceptionally strong CT band between the Soret and Q bands Chemical Science, 2014, 5, 2466 |
1514378 | CIF | C55 H42 B F22 N P2 Pt | P 1 21/n 1 | 15.6555; 18.868; 18.2423 90; 98.761; 90 | 5325.7 | DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science, 2013, 4, 642 |
1514379 | CIF | C54 H39 B F23 N P2 Pt | P 1 21/c 1 | 15.495; 18.673; 22.444 90; 125.955; 90 | 5256.7 | DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science, 2013, 4, 642 |
1514380 | CIF | C25 H35 B11 Cl12 F2 N P2 Pt | P 1 21/c 1 | 19.446; 15.82; 15.256 90; 107.781; 90 | 4469 | DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science, 2013, 4, 642 |
1514381 | CIF | C30 H22 B F2 N5 | P -1 | 11.9663; 12.5933; 19.2781 76.089; 85.2516; 62.9902 | 2511.2 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514382 | CIF | C30.5 H24 B Cl F2 N4 | C 1 2/c 1 | 33.428; 11.5134; 13.9925 90; 111.419; 90 | 5013.4 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514383 | CIF | C32 H27 B F2 N4 | P -1 | 12.0332; 14.8026; 15.5572 89.0111; 83.545; 72.8575 | 2630.8 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514384 | CIF | C40 H43 B F2 N4 | P -1 | 10.7533; 13.3999; 24.5025 91.7881; 95.0164; 100.258 | 3457 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514385 | CIF | C36 H35 B F2 N4 | P 1 21/n 1 | 15.7903; 11.9086; 15.8933 90; 94.469; 90 | 2979.5 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514386 | CIF | C28.5 H18 B Cl3 F2 N4 | I 1 2/a 1 | 14.0731; 11.5359; 31.2056 90; 93.7226; 90 | 5055.41 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514392 | CIF | C42 H56 Cl N O5 | P 1 21/c 1 | 11.4992; 24.3436; 15.0944 90; 112.268; 90 | 3910.3 | Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science, 2013, 4, 622 |
1514393 | CIF | C16 H20 Cl N O | P 21 21 21 | 5.1885; 14.53; 19.501 90; 90; 90 | 1470.2 | Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science, 2013, 4, 622 |
1514394 | CIF | C24 H18 Cl N O4 | P 21 21 21 | 7.8652; 13.56; 19.207 90; 90; 90 | 2048.5 | Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science, 2013, 4, 622 |
1514395 | CIF | C51 H33 N7 O20 Zn3 | P -3 1 c | 16.49; 16.49; 14.05 90; 90; 120 | 3308.6 | Park, Hye Jeong; Suh, Myunghyun Paik Enhanced isosteric heat, selectivity, and uptake capacity of CO2 adsorption in a metal-organic framework by impregnated metal ions Chemical Science, 2013, 4, 685 |
1514396 | CIF | C84 H90 N2 Pt | P 1 21/c 1 | 19.1854; 19.6691; 24.6274 90; 108.482; 90 | 8814.1 | Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways Chemical Science, 2013, 4, 770 |
1514397 | CIF | C102.5 H113 Cl N2 Pt | P -1 | 12.0941; 15.39; 25.2421 101.259; 98.6734; 111.101 | 4171.5 | Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways Chemical Science, 2013, 4, 770 |
1514399 | CIF | C12 H20 O6 | P 1 21/c 1 | 6.0689; 11.699; 19.4385 90; 98.695; 90 | 1364.3 | Ley, David; Gerbig, Dennis; Schreiner, Peter R. Tunneling control of chemical reactions: C‒H insertion versus H-tunneling in tert-butylhydroxycarbene Chemical Science, 2013, 4, 677 |
1514400 | CIF | C48 F40 N4 U | C 1 2/c 1 | 23.5319; 12.9011; 16.0719 90; 106.846; 90 | 4669.8 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514401 | CIF | C48 H20 F20 N4 U | C 1 2/c 1 | 38.651; 12.3736; 19.957 90; 99.992; 90 | 9399.7 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514402 | CIF | C44 H16 F30 N3 O2 U | P -1 | 11.0728; 11.7379; 20.3378 79.419; 80.189; 84.54 | 2554.81 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514403 | CIF | C88.5 H66 F18 N3 O2 P2 U | P -1 | 13.4814; 16.1925; 19.0979 76.559; 87.948; 84.674 | 4036.9 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514404 | CIF | C14 H9 F6 N | P c a 21 | 10.0174; 15.9406; 7.9776 90; 90; 90 | 1273.89 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514405 | CIF | C26 H32 F6 K N O3 | P -1 | 10.8866; 11.9211; 12.8559 111.365; 100.052; 109.196 | 1382.79 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514406 | CIF | C16 H10 F10 K N O | P -1 | 8.4008; 10.5747; 11.1333 77.131; 69.962; 75.663 | 889.84 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514407 | CIF | C66 H42 F25 K N6 U | P 1 21/c 1 | 24.2328; 12.7508; 24.1585 90; 109.123; 90 | 7052.8 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514408 | CIF | C34 H18 Ir0.11 N4 O8 Zn2 | P -1 | 14.0368; 15.1189; 15.1242 85.358; 85.555; 86.35 | 3184.2 | Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science, 2013, 4, 601 |
1514409 | CIF | C26 H8 N10 O8 Rh Zn2 | P 4/m m m | 15.093; 15.093; 9.62 90; 90; 90 | 2191.4 | Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science, 2013, 4, 601 |
1514410 | CIF | C36 H21 N4 O8 Rh0.15 Zn2 | P -1 | 14.0869; 15.1333; 15.1402 86.517; 87.286; 86.896 | 3213.8 | Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science, 2013, 4, 601 |
1514411 | CIF | C24 H8 Ir0.29 N6 O8 Zn2 | P 4/m m m | 15.093; 15.093; 9.62 90; 90; 90 | 2191.4 | Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science, 2013, 4, 601 |
1514412 | CIF | C25 H23 P Si | P -1 | 11.2823; 16.8988; 22.9869 81.236; 79.739; 81.615 | 4230.32 | Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science, 2013, 4, 691 |
1514413 | CIF | C50 H70 Li2 N2 P2 Si4 | C 1 c 1 | 18.8666; 22.2888; 25.4992 90; 100.652; 90 | 10538 | Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science, 2013, 4, 691 |
1514414 | CIF | C64 H86 Ca N2 P2 Si4 | C 1 2/c 1 | 30.6079; 12.39475; 22.0579 90; 128.948; 90 | 6508.1 | Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science, 2013, 4, 691 |
1514415 | CIF | C31 H52 N2 P Si4 Y | P 1 21/c 1 | 11.1459; 20.7732; 16.6276 90; 100.782; 90 | 3781.92 | Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science, 2013, 4, 691 |
1514416 | CIF | C159 H60 I2 N2 O20 | P -1 | 11.569; 12.623; 20.413 97.57; 102.49; 113.57 | 2587.1 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514417 | CIF | C71 H17 Cl6 N O8 | P -1 | 14.3061; 14.457; 15.4664 76.592; 66.58; 61.681 | 2580.3 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514418 | CIF | C65 H5 N O5 | P 1 2/c 1 | 18.742; 13.442; 18.553 90; 114.4; 90 | 4256.6 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514419 | CIF | C67 H6 Cl6 I N O5 | P -1 | 12.754; 12.843; 14.63 78.32; 82.27; 68.22 | 2174.6 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514420 | CIF | C68 H9 N O7 | P 1 2/c 1 | 19.163; 13.468; 18.553 90; 114.32; 90 | 4363 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514421 | CIF | C80 H114 N8 O8 S4 Yb2 | P 1 21/n 1 | 11.3252; 14.7748; 24.3057 90; 90.686; 90 | 4066.7 | Kwong, Wai-Lun; Wai-Yin Sun, Raymond; Lok, Chun-Nam; Siu, Fung-Ming; Wong, Suk-Yu; Low, Kam-Hung; Che, Chi-Ming An ytterbium(iii) porphyrin induces endoplasmic reticulum stress and apoptosis in cancer cells: cytotoxicity and transcriptomics studies Chemical Science, 2013, 4, 747 |
1514422 | CIF | C36 H40 Co K O4 | P 1 21/c 1 | 15.4085; 20.2602; 21.0264 90; 102.87; 90 | 6399.1 | Gülak, Samet; Stepanek, Ondrej; Malberg, Jennifer; Rad, Babak Rezaei; Kotora, Martin; Wolf, Robert; Jacobi von Wangelin, Axel Highly chemoselective cobalt-catalyzed biaryl coupling reactions Chemical Science, 2013, 4, 776 |
1514423 | CIF | C136 Cl16 Dy2 N8 O74 Si2 W20 | P 1 21/n 1 | 15.3062; 47.6192; 15.6327 90; 108.576; 90 | 10800.6 | Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates Chemical Science, 2013, 4, 596 |
1514424 | CIF | C136 Cl16 Gd2 N8 O74 Si2 W20 | P 1 21/n 1 | 15.2981; 47.7123; 15.6288 90; 108.609; 90 | 10811.2 | Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates Chemical Science, 2013, 4, 596 |
1514425 | CIF | C32 H41 Au Cl2 N2 O2 | P 1 21/n 1 | 12.2769; 12.2829; 22.2697 90; 91.868; 90 | 3356.4 | Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science, 2013, 4, 1552 |
1514426 | CIF | C35 H46 Au Cl2 N3 O | P 1 21/n 1 | 10.2357; 12.3159; 28.5345 90; 96.224; 90 | 3575.91 | Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science, 2013, 4, 1552 |
1514427 | CIF | C36.25 H47.5 Au Cl F3 N3 O4 S | P 41 | 27.6; 27.6; 21.2131 90; 90; 90 | 16159.3 | Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science, 2013, 4, 1552 |
1514428 | CIF | C66 H74 F6 N6 O10 P2 | P -1 | 14.9639; 16.2074; 16.6904 68.074; 65.602; 86.227 | 3400.9 | Liu, Li; Liu, Yuanyuan; Liu, Pingying; Wu, Jie; Guan, Yangfan; Hu, Xiaoyu; Lin, Chen; Yang, Yang; Sun, Xiaoqiang; Ma, Jing; Wang, Leyong Phosphine oxide functional group based three-station molecular shuttle Chemical Science, 2013, 4, 1701 |
1514430 | CIF | C66 H111 Cu3 N19 O35 | I 4/m | 30.926; 30.926; 45.103 90; 90; 90 | 43137 | Yan, Yong; Suyetin, Mikhail; Bichoutskaia, Elena; Blake, Alexander J.; Allan, David R.; Barnett, Sarah A.; Schröder, Martin Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal‒organic polyhedral framework Chemical Science, 2013, 4, 1731 |
1514431 | CIF | C62 H44 Br4 N8 O7 | P b c a | 19.744; 19.587; 32.31 90; 90; 90 | 12495 | Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions Chemical Science, 2013, 4, 1765 |
1514432 | CIF | C46 H48 F24 N8 O2 P4 | C 1 2/c 1 | 22.03; 27.145; 10.285 90; 116.38; 90 | 5510 | Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions Chemical Science, 2013, 4, 1765 |
1514433 | CIF | C11 H16 Co N6 O3 | I 41/a :2 | 17.243; 17.243; 20.157 90; 90; 90 | 5993 | Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science, 2013, 4, 1746 |
1514434 | CIF | C9 H15 Co N5 O3 | I 41/a :2 | 15.7869; 15.7869; 22.328 90; 90; 90 | 5564.7 | Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science, 2013, 4, 1746 |
1514435 | CIF | C10 H14 Co N5 O2.5 | I 41/a :2 | 15.852; 15.852; 22.346 90; 90; 90 | 5615 | Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science, 2013, 4, 1746 |
1514436 | CIF | C37 H58 Mg N2 O | P -1 | 9.1792; 12.119; 15.8077 85.527; 77.912; 87.404 | 1713.51 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514437 | CIF | C38 H59 Mg N3 | P 1 21/n 1 | 9.0121; 20.1333; 19.8758 90; 91.504; 90 | 3605.09 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514438 | CIF | C40 H53 Mg N3 O2 | R 3 m :H | 32.394; 32.394; 11.017 90; 90; 120 | 10012 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514439 | CIF | C78 H104 Mg2 N6 S2 | P 1 21/n 1 | 13.5757; 14.4034; 18.932 90; 92.2137; 90 | 3699.1 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514440 | CIF | C48 H60 Mg N4 O1.25 S2 | P 1 21/n 1 | 18.964; 12.505; 38.624 90; 96.385; 90 | 9103 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514441 | CIF | C80 H110 Mg2 N8 | P 1 21/n 1 | 12.703; 21.654; 13.282 90; 90.01; 90 | 3653.5 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514442 | CIF | C42.5 H61.5 Mg N4 | P 1 21/n 1 | 14.0179; 13.5976; 21.7756 90; 96.842; 90 | 4121.08 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514443 | CIF | C72 H43 N6 Ni3 O13 | R -3 c :H | 29.36; 29.36; 20.776 90; 90; 120 | 15510 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514444 | CIF | C72 H43 N6 Ni3 O13 | R -3 c :H | 29.87; 29.87; 12.0337 90; 90; 120 | 9298 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514445 | CIF | C72 H43 N6 Ni3 O13 | R -3 c :H | 29.884; 29.884; 11.8868 90; 90; 120 | 9193 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514446 | CIF | C82 H83 N6 Ni3 O23 | R -3 c :H | 29.347; 29.347; 21.287 90; 90; 120 | 15877 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514447 | CIF | C90 H115 N6 Ni3 O31 | R -3 c :H | 29.368; 29.368; 20.868 90; 90; 120 | 15586.9 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514448 | CIF | C108 H127 N18 Ni3 O25 | R -3 c :H | 29.05; 29.05; 24.502 90; 90; 120 | 17907 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514449 | CIF | C108 H127 N18 Ni3 O25 | R -3 c :H | 29.106; 29.106; 23.417 90; 90; 120 | 17180 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514450 | CIF | C108 H127 N18 Ni3 O25 | R -3 c :H | 29.151; 29.151; 23.07 90; 90; 120 | 16978 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514451 | CIF | C109.5 H80.5 N13.5 Ni3 O13 | R -3 c :H | 28.548; 28.548; 26.592 90; 90; 120 | 18769 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514452 | CIF | C57 H34 Co3 N3 O13 | R -3 c :H | 19.4312; 19.4312; 45.631 90; 90; 120 | 14920.7 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514453 | CIF | C29 H30 O3 Si | P c a 21 | 25.2196; 11.8584; 8.5478 90; 90; 90 | 2556.34 | Zhao, Jinbo; Liu, Shasha; Marino, Nadia; Clark, Daniel A. Regio- and stereoselective trans-silylvinylation of internal alkynes catalyzed by RuHCl(CO)(PCy3)2 Chemical Science, 2013, 4, 1547 |
1514454 | CIF | C18 H32 Cl3 Gd N4 O10 | P -1 | 8.8714; 11.147; 14.5317 102.922; 93.887; 91.677 | 1395.96 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514455 | CIF | C19 H24 Er N7 O14 | P 1 21/c 1 | 13.0075; 14.8207; 13.9166 90; 102.653; 90 | 2617.7 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514456 | CIF | C9 H12 N5 O12 Y | P -1 | 7.4349; 10.63; 11.657 68.02; 88.31; 87.44 | 853.4 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514457 | CIF | C18 H32 Cl3 N4 O10 Tb | P -1 | 8.849; 11.157; 14.564 103.13; 93.56; 91.72 | 1396.1 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514458 | CIF | C18 H32 Cl3 Dy N4 O10 | P -1 | 8.846; 11.148; 14.527 102.85; 93.52; 91.86 | 1392.5 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514459 | CIF | C18 H32 Cl3 Ho N4 O10 | P -1 | 8.87; 11.12; 14.439 102.36; 93.95; 91.96 | 1386.1 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514460 | CIF | C18 H32 Cl3 Er N4 O10 | P -1 | 8.8067; 11.1745; 14.5412 103.075; 93.297; 91.942 | 1389.98 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514461 | CIF | C18 H32 Cl3 N4 O10 Y | P -1 | 8.819; 11.149; 14.491 102.91; 93.47; 91.88 | 1384.7 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514462 | CIF | C19 H24 N7 O14 Tb | P 1 21/c 1 | 13.0909; 14.851; 13.916 90; 102.875; 90 | 2637.4 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514463 | CIF | C19 H24 Dy N7 O14 | P 1 21/c 1 | 13.09; 14.792; 13.965 90; 102.88; 90 | 2636 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514464 | CIF | C19 H24 Ho N7 O14 | P 1 21/c 1 | 13.0407; 14.8401; 13.9335 90; 102.721; 90 | 2630.3 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514465 | CIF | C10 H24 Br2 Ni P2 | P 1 21/c 1 | 8.707; 13.3165; 13.7802 90; 100.665; 90 | 1570.17 | Bryan, Zachary J.; McNeil, Anne J. Evidence for a preferential intramolecular oxidative addition in Ni-catalyzed cross-coupling reactions and their impact on chain-growth polymerizations Chemical Science, 2013, 4, 1620 |
1514466 | CIF | C22 H24 Cl2 N2 O Os S | P 1 21/c 1 | 14.4797; 11.9305; 13.1126 90; 98.591; 90 | 2239.8 | Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G. Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents Chemical Science, 2013, 4, 1837 |
1514467 | CIF | C25 H29 Cl2 F N2 O Ru S | P 1 21/n 1 | 14.0346; 8.6278; 22.7026 90; 90.353; 90 | 2749 | Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G. Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents Chemical Science, 2013, 4, 1837 |
1514468 | CIF | C108 H116 Br6 Co4 N11 O16 | P 21 21 21 | 12.6611; 19.0777; 47.5848 90; 90; 90 | 11493.8 | Zhu, Yuan-Yuan; Cui, Chang; Zhang, Yi-Quan; Jia, Jun-Hua; Guo, Xiao; Gao, Chen; Qian, Kang; Jiang, Shang-Da; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song Zero-field slow magnetic relaxation from single Co(ii) ion: a transition metal single-molecule magnet with high anisotropy barrier Chemical Science, 2013, 4, 1802 |
1514469 | CIF | C132 H136 B8 Cl28 Fe4 N32 O36 Re4 | P -1 | 16.163; 20.152; 20.252 93.07; 90.55; 110.44 | 6169 | Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science, 2013, 4, 1658 |
1514470 | CIF | C42 H48 B2 Fe N8 O6 | C 1 2/c 1 | 23.705; 9.3657; 20.454 90; 118.68; 90 | 3983.9 | Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science, 2013, 4, 1658 |
1514471 | CIF | C56 H70 B4 Cl10 Fe2 N14 O12 | P -1 | 10.235; 10.862; 16.008 97.163; 98.93; 93.02 | 1739.6 | Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science, 2013, 4, 1658 |
1514472 | CIF | C56 H48 B2 Fe N8 O14 Zn2 | C 1 2/m 1 | 24.166; 18.52; 21.805 90; 105.6; 90 | 9399 | Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science, 2013, 4, 1658 |
1514473 | CIF | C7 H5 Cu2 I N4 S | I a -3 d | 41.856; 41.856; 41.856 90; 90; 90 | 73329 | Shan, Xiao-chen; Jiang, Fei-long; Yuan, Da-qiang; Zhang, Hua-bin; Wu, Ming-yan; Chen, Lian; Wei, Jing; Zhang, Shu-quan; Pan, Jie; Hong, Mao-chun A multi-metal-cluster MOF with Cu4I4 and Cu6S6 as functional groups exhibiting dual emission with both thermochromic and near-IR character Chemical Science, 2013, 4, 1484 |
1514474 | CIF | C15 H18 O6 | C 1 2/c 1 | 13.7664; 9.367; 10.8858 90; 99.268; 90 | 1385.4 | Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol Chemical Science, 2013, 4, 1615 |
1514475 | CIF | C19 H32 O7 | P 1 21/c 1 | 9.1857; 10.7306; 17.807 90; 94.071; 90 | 1750.8 | Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol Chemical Science, 2013, 4, 1615 |
1514476 | CIF | C31 H28 Cl0 Co F12 N6 P2 | P -1 | 11.462; 12.501; 13.164 109.79; 108.38; 90.82 | 1668.73 | King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science, 2013, 4, 1578 |
1514477 | CIF | C53 H45 B Co N5 | P -1 | 10.9829; 13.7142; 17.0064 102.458; 107.971; 101.25 | 2282.8 | King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science, 2013, 4, 1578 |
1514478 | CIF | C33 H28 Cl0 Co F6 N5 O8 S2 | P -1 | 11.94; 12.822; 15.328 65.696; 78.915; 66.557 | 1960.99 | King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science, 2013, 4, 1578 |
1514479 | CIF | C144 H130 B4 Co4 F40 N30 O24 S8 | C 1 c 1 | 17.791; 16.341; 27.415 90; 97.47; 90 | 7902.52 | King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science, 2013, 4, 1578 |
1514480 | CIF | C55 H68 B4 F16 N16 O4 | P 1 21/n 1 | 15.7015; 12.8679; 18.0196 90; 105.064; 90 | 3515.66 | Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L. A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media Chemical Science, 2013, 4, 1560 |
1514481 | CIF | C54 H64 B F4 N16 O7 P2 | P 1 21/c 1 | 19.726; 15.697; 22.564 90; 101.404; 90 | 6849 | Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L. A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media Chemical Science, 2013, 4, 1560 |
1514482 | CIF | C162 H200 B8 F32 N48 O16 P4 | P 1 21/n 1 | 20.554; 16.552; 31.568 90; 93.445; 90 | 10720 | Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L. A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media Chemical Science, 2013, 4, 1560 |
1514483 | CIF | C57 H74 Cl4 Cu2 N4 S2 | C 2 2 21 | 14.073; 21.02; 19.083 90; 90; 90 | 5645 | Zhang, Shiyu; Warren, Timothy H. Three coordinate models for the binuclear CuA electron-transfer site Chemical Science, 2013, 4, 1786 |
1514484 | CIF | C58 H76 Cl4 Cu2 N4 S2 | C 1 2/c 1 | 52.089; 8.9421; 35.545 90; 129.297; 90 | 12813 | Zhang, Shiyu; Warren, Timothy H. Three coordinate models for the binuclear CuA electron-transfer site Chemical Science, 2013, 4, 1786 |
1514485 | CIF | C35 H43 Cl2 Cu N2 S | P 1 21/c 1 | 9.26; 24.43; 15.506 90; 100.133; 90 | 3453 | Zhang, Shiyu; Warren, Timothy H. Three coordinate models for the binuclear CuA electron-transfer site Chemical Science, 2013, 4, 1786 |
1514486 | CIF | C18 H18 Cl D2 N3 O2 | P b c a | 18.9604; 9.3522; 19.2687 90; 90; 90 | 3416.8 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
1514487 | CIF | C19 H20 Cl D2 N3 O2 | P b c a | 19.2697; 9.5129; 19.6896 90; 90; 90 | 3609.3 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
1514488 | CIF | C18 H17 Cl D2 F N3 O2 | P b c a | 18.8845; 9.4266; 19.2915 90; 90; 90 | 3434.2 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
1514489 | CIF | C35 H48 Cl2 Fe N O2 | P 1 21/n 1 | 10.1903; 12.5783; 27.2498 90; 96.4952; 90 | 3470.4 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514490 | CIF | C40 H76 Fe N3 O2 Si4 | P 1 21/c 1 | 11.9269; 17.5744; 24.1583 90; 111.583; 90 | 4708.7 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514491 | CIF | C75.5 H98 Cl8 Fe2 N2 O8 | P -1 | 14.8709; 15.747; 17.9214 94.0663; 111.428; 95.5142 | 3863 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514492 | CIF | C43 H55 Cl4 Fe N2 O5 | P 1 21/n 1 | 12.6068; 24.431; 16.6177 90; 111.803; 90 | 4752.1 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514493 | CIF | C66 H90 Fe2 N4 O4 | P 1 21/c 1 | 14.1943; 14.2798; 17.1104 90; 113.995; 90 | 3168.4 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514494 | CIF | C45 H58 Fe N5 O2 | P 1 21 1 | 14.0101; 15.7187; 19.934 90; 97.6912; 90 | 4350.4 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514495 | CIF | C26 H27 Cu3 N8 O0 | P -1 | 11.4287; 11.7031; 12.918 64.005; 89.783; 71.129 | 1450.1 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514496 | CIF | C20 H21 Cu3 N8 O0 | P -1 | 11.4262; 11.4509; 12.5243 66.62; 89.182; 69.908 | 1398.37 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514497 | CIF | C22 H26 Cu3 N8 O2 | P -1 | 11.4964; 11.3571; 12.9352 115.386; 91.133; 69.305 | 1409.92 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514498 | CIF | C22 H26 Cu3 N8 O2 | P -1 | 11.5152; 11.312; 12.6953 114.171; 91.497; 68.347 | 1386.93 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514499 | CIF | C24 H29 Cu3 N8 O2 | P -1 | 11.4723; 11.4569; 13.1199 64.295; 89.824; 110.147 | 1434.83 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514500 | CIF | C26 H33 Cu3 N8 | P -1 | 11.4507; 11.6026; 13.2025 65.36; 71.368; 71.461 | 1475.62 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514501 | CIF | C22 H24 Cu3 N9 O | P -1 | 11.37; 11.4274; 12.1912 67.952; 87.743; 69.803 | 1370.45 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514505 | CIF | C42 H44 F6 Ir N2 O2 P2 | P 63 | 19.437; 19.437; 18.1371 90; 90; 120 | 5934.13 | Schramm, York; Barrios-Landeros, Fabiola; Pfaltz, Andreas Discovery of an iridacycle catalyst with improved reactivity and enantioselectivity in the hydrogenation of dialkyl ketimines Chemical Science, 2013, 4, 2760 |
1514506 | CIF | C26 H19 Br N2 O2 S | P 21 21 21 | 8.6182; 12.4254; 20.8694 90; 90; 90 | 2234.79 | Li, Meiling; Woods, Philip A.; Smith, Martin D. Cation-directed enantioselective synthesis of quaternary-substituted indolenines Chemical Science, 2013, 4, 2907 |
1514507 | CIF | C27 H19 N3 | P 1 21/c 1 | 12.6892; 9.9361; 16.3936 90; 102.515; 90 | 2017.81 | Li, Meiling; Woods, Philip A.; Smith, Martin D. Cation-directed enantioselective synthesis of quaternary-substituted indolenines Chemical Science, 2013, 4, 2907 |
1514508 | CIF | C72 H2 Cl16 | P -1 | 11.049; 13.43; 18.364 105.567; 91.091; 106.254 | 2507 | Tan, Yuan-Zhi; Li, Jia; Du, Ming-Yue; Lin, Shui-Chao; Xie, Su-Yuan; Lu, Xin; Huang, Rong-Bin; Zheng, Lan-Sun Exohedrally stabilized C70 isomer with adjacent pentagons characterized by crystallography Chemical Science, 2013, 4, 2967 |
1514509 | CIF | C368 H360 B16 Co8 F64 N72 O40 | C 1 2/c 1 | 27.658; 39.485; 42.581 90; 106.741; 90 | 44531 | Whitehead, Martina; Turega, Simon; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D. Quantification of solvent effects on molecular recognition in polyhedral coordination cage hosts Chemical Science, 2013, 4, 2744 |
1514511 | CIF | C28 H40 O6 | P 21 21 21 | 11.3881; 13.7611; 15.9461 90; 90; 90 | 2499 | Liffert, Raphael; Hoecker, Johannes; Jana, Chandan K.; Woods, Tom M.; Burch, Patrick; Jessen, Henning J.; Neuburger, Markus; Gademann, Karl Withanolide A: synthesis and structural requirements for neurite outgrowth Chemical Science, 2013, 4, 2851 |
1514519 | CIF | C62 H135 Mn Mo6 N6 O26 | P c c a | 23.3192; 28.2; 30.215 90; 90; 90 | 19869 | Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science, 2013, 4, 3810 |
1514520 | CIF | C94 H152 Mn Mo6 N9 O26 | P -1 | 18.0136; 26.3164; 26.5199 113.089; 102.13; 100.729 | 10790.7 | Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science, 2013, 4, 3810 |
1514521 | CIF | C80 H153 Mn Mo6 N8 O28 | P 1 21/c 1 | 27.455; 29.007; 24.974 90; 94.45; 90 | 19829 | Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science, 2013, 4, 3810 |
1514522 | CIF | C80 H155 Mn Mo6 N8 O29 | P n m a | 28.257; 21.8128; 16.5796 90; 90; 90 | 10219.1 | Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science, 2013, 4, 3810 |
1514523 | CIF | C19 H25 N O4 | P 1 21 1 | 8.3357; 11.294; 9.9646 90; 103.551; 90 | 912 | Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J. One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity Chemical Science, 2013, 4, 3845 |
1514524 | CIF | C19 H23 N O4 | P 1 21 1 | 7.3372; 22.647; 20.618 90; 90.112; 90 | 3426 | Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J. One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity Chemical Science, 2013, 4, 3845 |
1514525 | CIF | C13 H19 N O3 | P 1 21 1 | 9.0939; 30.695; 9.139 90; 94.405; 90 | 2543.5 | Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J. One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity Chemical Science, 2013, 4, 3845 |
1514526 | CIF | C17 H17 Cl3 N2 O3 | P -1 | 9.7614; 10.2988; 10.4722 80.745; 71.023; 89.009 | 981.91 | Cui, Sunliang; Zhang, Yan; Wang, Dahai; Wu, Qifan Rh(iii)-catalyzed C‒H activation/[4 + 3] cycloaddition of benzamides and vinylcarbenoids: facile synthesis of azepinones Chemical Science, 2013, 4, 3912 |
1514527 | CIF | C35 H61 B11 Br6 F P Ru Si | P -1 | 11.8239; 14.7954; 15.4075 99.322; 110.839; 91.577 | 2475.17 | Fasulo, Meg E.; Lipke, Mark C.; Tilley, T. Don Structural and mechanistic investigation of a cationic hydrogen-substituted ruthenium silylene catalyst for alkene hydrosilation Chemical Science, 2013, 4, 3882 |
1514528 | CIF | C30.5 H23.25 Co F6 N5.75 O6 S2 | P -1 | 9.8107; 12.2952; 13.4212 93.235; 91.814; 91.35 | 1615.01 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514529 | CIF | C33 H30.5 B0.5 F11 N7 Ni O0.5 P1.5 | P 1 21/n 1 | 11.605; 26.456; 12.584 90; 114.443; 90 | 3517.3 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514530 | CIF | C33 H27 Cu F6 N7 O6 S2 | P -1 | 9.9247; 13.1783; 14.849 66.577; 80.638; 81.873 | 1752.01 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514531 | CIF | C31 H24 F6 N6 O6 S2 Zn | P -1 | 9.829; 12.2969; 13.4196 92.874; 91.805; 91.232 | 1618.7 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514532 | CIF | C32 H23 Co F9 N6 O6 S2 | P -1 | 10.1178; 10.1848; 18.5692 93.06; 101.838; 106.548 | 1782.45 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514533 | CIF | C27 H23 Br2 N O6 | P 21 21 21 | 6.939; 18.9; 19.529 90; 90; 90 | 2561 | Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates Chemical Science, 2013, 4, 3857 |
1514534 | CIF | C16 H25 N O6 | P 1 21/c 1 | 9.8524; 15.9675; 10.5673 90; 92.813; 90 | 1660.43 | Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates Chemical Science, 2013, 4, 3857 |
1514535 | CIF | C37 H60 O6 | P 21 21 21 | 10.4149; 13.7246; 24.603 90; 90; 90 | 3516.8 | Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science, 2013, 4, 3899 |
1514536 | CIF | C38 H62 O9 | P 1 | 8.7254; 9.5176; 12.415 89.65; 80.46; 70.65 | 958 | Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science, 2013, 4, 3899 |
1514537 | CIF | C41 H71 Cl O5 Si | P 21 21 21 | 9.3808; 13.5353; 32.994 90; 90; 90 | 4189.3 | Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science, 2013, 4, 3899 |
1514538 | CIF | C34.5 H57 Cl O5 | P 1 21 1 | 11.2356; 11.9742; 24.8296 90; 93.447; 90 | 3334.46 | Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science, 2013, 4, 3899 |
1514539 | CIF | C43 H57 N5 Ni | P -1 | 10.911; 12.339; 15.869 103.994; 97.621; 107.921 | 1922.2 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514540 | CIF | C56 H77 N5 Ni | P 21 21 21 | 13.207; 17.694; 21.9242 90; 90; 90 | 5123.3 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514541 | CIF | C146 H136 B2 F40 N10 Ni2 | P -1 | 14.779; 15.5; 16.733 92.788; 98.247; 100.522 | 3718.6 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514542 | CIF | C27 H44 N4 Ni | F d d 2 | 17.8294; 42.047; 17.6823 90; 90; 90 | 13256 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514543 | CIF | C31 H49 N7 Ni | P -1 | 12.174; 26.324; 31.697 112.359; 99.666; 92.719 | 9191.6 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514544 | CIF | C19 H20 Cl2 O4 | P 21 21 21 | 7.8057; 10.1854; 23.4262 90; 90; 90 | 1862.5 | Hussain, Nusrah; Hussain, Mahmud M.; Carroll, Patrick J.; Walsh, Patrick J. Chemo- and diastereoselective tandem dual oxidation of B(pin)-substituted allylic alcohols: synthesis of B(pin)-substituted epoxy alcohols, 2-keto-anti-1,3-diols and dihydroxy-tetrahydrofuran-3-ones Chemical Science, 2013, 4, 3946 |
1514549 | CIF | C24 H20 N4 O3 Pd | P -1 | 9.1886; 10.6165; 11.5601 81.563; 81.84; 72.521 | 1058.25 | Chen, Kai; Hu, Fang; Zhang, Shuo-Qing; Shi, Bing-Feng Pd(ii)-catalyzed alkylation of unactivated C(sp3)‒H bonds: efficient synthesis of optically active unnatural α-amino acids Chemical Science, 2013, 4, 3906 |
1514550 | CIF | C27 H32 O11 | P 1 | 9.4188; 9.7589; 15.1515 96.812; 97.849; 109.187 | 1282.95 | Gong, Wei; RajanBabu, T. V. Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes Chemical Science, 2013, 4, 3979 |
1514551 | CIF | C45 H63 B O10 Si Sn | P -1 | 11.9576; 12.6539; 16.2477 96.233; 98.572; 100.371 | 2367.98 | Gong, Wei; RajanBabu, T. V. Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes Chemical Science, 2013, 4, 3979 |
1514552 | CIF | C29 H40 O9 Si | P 21 21 21 | 10.7843; 14.0454; 19.3783 90; 90; 90 | 2935.23 | Gong, Wei; RajanBabu, T. V. Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes Chemical Science, 2013, 4, 3979 |
1514553 | CIF | C118 H206 B2 Fe2 O P6 | C 1 2/c 1 | 28.3106; 21.7915; 22.8536 90; 126.572; 90 | 11323.1 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514554 | CIF | C124 H208 B2 Cl4 Fe2 N2 O2 P6 | P 1 21/c 1 | 22.7338; 15.5757; 17.6503 90; 110.288; 90 | 5862.1 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514555 | CIF | C54 H106 B2 Fe2 O P6 | P 1 21 1 | 14.199; 14.985; 14.939 90; 103.184; 90 | 3094.8 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514556 | CIF | C102 H94 B2 Fe2 O P6 | I -4 2 d | 33.2834; 33.2834; 16.7509 90; 90; 90 | 18556.4 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514557 | CIF | C67 H81 B Fe Na O7 P3 | P 31 | 13.1184; 13.1184; 31.059 90; 90; 120 | 4628.9 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514558 | CIF | C91 H82 B2 Fe2 O3 P6 | P -1 | 13.7605; 16.3419; 22.5111 96.665; 106.719; 103.489 | 4622.3 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514559 | CIF | C48 H62 O4 W | P -1 | 12.5307; 18.2485; 19.5913 91.056; 93.582; 109.527 | 4210.28 | McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand Chemical Science, 2013, 4, 1145 |
1514560 | CIF | C45 H56 O3.5 W | P -1 | 9.4199; 12.183; 17.6797 93.621; 100.409; 102.237 | 1939.34 | McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand Chemical Science, 2013, 4, 1145 |
1514561 | CIF | C50 H55 O2.5 W | P 1 21/c 1 | 9.6683; 40.736; 21.0306 90; 97.047; 90 | 8220.3 | McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand Chemical Science, 2013, 4, 1145 |
1514562 | CIF | C70.11 H51.07 Cl4.87 N8 O4.24 Zn2 | P -1 | 11.1564; 16.8638; 17.2397 94.315; 93.4125; 108.645 | 3052.51 | Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya Two double helical modes of bidipyrrin‒ZnII complexes Chemical Science, 2013, 4, 1204 |
1514563 | CIF | C32 H24 Br2 N4 Ni | P 1 21/n 1 | 12.324; 8.833; 25.104 90; 94.105; 90 | 2725.8 | Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya Two double helical modes of bidipyrrin‒ZnII complexes Chemical Science, 2013, 4, 1204 |
1514564 | CIF | C34 H25 Eu F18 N4 O7 | P 1 21/c 1 | 12.4834; 18.5861; 20.5491 90; 117.547; 90 | 4227.24 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514565 | CIF | C69 H50 Eu2 F36 N8 O14 | P 1 21/c 1 | 21.9162; 18.3619; 24.8681 90; 122.872; 90 | 8405.1 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514566 | CIF | C119 H90.5 Eu3 F54 N18.5 O20 | P -1 | 17.6614; 19.7308; 23.4654 95.2886; 96.678; 114.691 | 7288.8 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514567 | CIF | C38 H31 F18 Lu N6 O7 | P -1 | 12.2354; 14.4044; 14.8029 77.3039; 72.1925; 68.6551 | 2296.17 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514568 | CIF | C66 H54 F30 La2 N10 O14 | P -1 | 11.6721; 15.7298; 22.3967 78.307; 87.1599; 87.3088 | 4018.88 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514569 | CIF | C23 H25 N O4 | P 1 21/c 1 | 18.485; 5.944; 18.057 90; 92.841; 90 | 1982 | Xie, Jin; Xue, Qicai; Jin, Hongming; Li, Huamin; Cheng, Yixiang; Zhu, Chengjian A visible-light-promoted aerobic C‒H/C‒N cleavage cascade to isoxazolidine skeletons Chemical Science, 2013, 4, 1281 |
1514570 | CIF | C47 H53 La O2 P3 Se6 | P 42/n m c :2 | 31.601; 31.601; 10.671 90; 90; 90 | 10656 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514571 | CIF | C44 H46 Ce O2 P3 Se6 | P -1 | 9.8457; 13.0684; 19.024 88.6; 85.615; 70.493 | 2300.5 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514572 | CIF | C47 H53 Nd O2 P3 Se6 | P 42/n m c :2 | 31.4695; 31.4695; 10.6442 90; 90; 90 | 10541.3 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514573 | CIF | C40 H36 La N2 P3 Se6 | P 1 21/c 1 | 13.5653; 9.0111; 35.576 90; 91.945; 90 | 4346.2 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514574 | CIF | C44 H46 N0 O2 P3 Pu Se6 | P -1 | 13.344; 18.862; 20.428 79.465; 89.356; 70.12 | 4746 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514575 | CIF | C60 H68 Ce N O P4 Se8 | P 21 21 21 | 12.6878; 21.9927; 22.9089 90; 90; 90 | 6392.5 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514576 | CIF | C60 H68 N O P4 Pu Se8 | P 21 21 21 | 12.7053; 21.997; 22.902 90; 90; 90 | 6400.6 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514577 | CIF | C48 H40 P4 Se8 U | P 1 21 1 | 13.8131; 9.7933; 18.8547 90; 91.597; 90 | 2549.6 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514578 | CIF | C48 H40 Np P4 Se8 | P 1 21 1 | 13.8899; 9.9688; 18.862 90; 91.609; 90 | 2610.7 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514579 | CIF | C54 H78 Cl Ir N2 O2 | P 21 21 2 | 25.5236; 13.7422; 14.3634 90; 90; 90 | 5038 | Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid Chemical Science, 2013, 4, 1234 |
1514580 | CIF | C20 H26 Cl3 N2 Rh | P -1 | 10.499; 10.5404; 11.0455 63.986; 85.787; 69.884 | 1027.14 | Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid Chemical Science, 2013, 4, 1234 |
1514581 | CIF | C28 H27 N3 O3 | P 1 | 9.552; 10.569; 13.458 71.185; 76.497; 77.422 | 1235.4 | Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway Chemical Science, 2013, 4, 1308 |
1514582 | CIF | C28 H28 N2 O4 | P 21 21 21 | 11.118; 16.129; 26.837 90; 90; 90 | 4812 | Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway Chemical Science, 2013, 4, 1308 |
1514583 | CIF | C7 H18 Ca N O8 P | P 21 21 21 | 6.8101; 9.5015; 21.2601 90; 90; 90 | 1375.66 | Liang, Xiaoqiang; Zhang, Feng; Feng, Wei; Zou, Xiaoqin; Zhao, Chengji; Na, Hui; Liu, Cong; Sun, Fuxing; Zhu, Guangshan From metal‒organic framework (MOF) to MOF‒polymer composite membrane: enhancement of low-humidity proton conductivity Chemical Science, 2013, 4, 983 |
1514584 | CIF | C33 H50 Au N3 | P 1 21/c 1 | 12.5384; 13.4689; 19.1735 90; 93.373; 90 | 3232.4 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514585 | CIF | C33 H51 Au B F4 N3 | P 21 21 21 | 12.0547; 14.2387; 20.0505 90; 90; 90 | 3441.5 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514586 | CIF | C37 H50 Au N3 O | P 1 21/n 1 | 12.5675; 19.0611; 14.9662 90; 108.971; 90 | 3390.4 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514587 | CIF | C36 H53 Au N4 | P 1 21/c 1 | 10.8111; 20.7615; 16.2556 90; 103.247; 90 | 3551.6 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514588 | CIF | C45 H58 Au N2 P | P b c a | 14.8187; 19.5498; 28.0267 90; 90; 90 | 8119.4 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514589 | CIF | C45 H59 Au B F4 N2 P | P 1 2/n 1 | 11.8034; 8.9229; 50.327 90; 92.992; 90 | 5293.2 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514590 | CIF | C37 H59 Au B Cl4 F4 N2 P | P -1 | 11.9915; 12.2396; 16.7165 96.555; 108.386; 105.096 | 2195.7 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514597 | CIF | C15 H19 I N4 O4 | P 1 21/n 1 | 12.572; 9.3235; 15.1484 90; 90.258; 90 | 1775.6 | Wang, Minyan; Fu, Chunling; Ma, Shengming Cleavage of oxygen‒sulfur double bonds and carbon‒sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides Chemical Science, 2013, 4, 1016 |
1514598 | CIF | C17 H15 I N4 O4 | P -1 | 7.1296; 7.4865; 17.896 87.393; 84.501; 71.105 | 899.5 | Wang, Minyan; Fu, Chunling; Ma, Shengming Cleavage of oxygen‒sulfur double bonds and carbon‒sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides Chemical Science, 2013, 4, 1016 |
1514599 | CIF | C31 H22 Cl2 F4 Ir N2 O | P 1 21/n 1 | 10.3467; 11.3394; 23.95 90; 92.079; 90 | 2808.1 | Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G. Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities Chemical Science, 2013, 4, 1175 |
1514600 | CIF | C30 H19 F4 Ir N2 O | P 1 21/n 1 | 9.7368; 16.1179; 15.8357 90; 91.275; 90 | 2484.6 | Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G. Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities Chemical Science, 2013, 4, 1175 |
1514601 | CIF | C8 H10 O4 | P -1 | 6.6342; 7.2435; 9.0416 101.074; 109.754; 99.964 | 387.76 | Huang, Xueliang; Klimczyk, Sebastian; Veiros, Luís F.; Maulide, Nuno Stereoselective intramolecular cyclopropanation through catalytic olefin activation Chemical Science, 2013, 4, 1105 |
1514602 | CIF | C8 H15 F6 N2 P | P b c a | 9.3855; 9.7769; 26.717 90; 90; 90 | 2451.58 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514603 | CIF | C8 H15 F6 N2 P | P b c a | 9.4924; 9.8406; 26.8817 90; 90; 90 | 2511 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514604 | CIF | C8 H15 F6 N2 P | P -1 | 9.3869; 9.5879; 14.4964 98.492; 98.354; 101.089 | 1245.85 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514605 | CIF | C8 H15 F6 N2 P | P -1 | 9.5818; 9.5826; 14.5801 99.219; 99.252; 99.667 | 1278.2 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514606 | CIF | C8 H15 F6 N2 P | P -1 | 8.8215; 9.0796; 9.0381 96.671; 114.768; 103.071 | 621.82 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514607 | CIF | C16 H16 N2 O5 S | P 1 21 1 | 4.92063; 15.6607; 10.4554 90; 99.6328; 90 | 794.34 | Iwai, Yuri; Ozaki, Takashi; Takita, Ryo; Uchiyama, Masanobu; Shimokawa, Jun; Fukuyama, Tohru Modified McFadyen‒Stevens reaction for a versatile synthesis of aliphatic/aromatic aldehydes: design, optimization, and mechanistic investigations Chemical Science, 2013, 4, 1111 |
1514608 | CIF | C108 H71 F30 N6 O8 S4 | P -1 | 12.2352; 16.6412; 25.9304 76.808; 80.972; 74.261 | 4922.1 | Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science, 2013, 4, 1087 |
1514609 | CIF | C75 H32 Cl4 F30 N6 S4 | P -1 | 12.2654; 15.3627; 24.8758 101.432; 93.5605; 112.749 | 4186.74 | Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science, 2013, 4, 1087 |
1514610 | CIF | C75.78 H37.56 Cl3.56 F30 N6 S4 | P 1 21/n 1 | 16.133; 7.8286; 29.837 90; 102.318; 90 | 3681.6 | Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science, 2013, 4, 1087 |
1514611 | CIF | C119 H162 F3 Fe5 N17 O41 S Yb3 | P -1 | 16.483; 19.8976; 20.2276 76.119; 74.622; 81.57 | 6185.3 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514612 | CIF | C85 H111 Fe4 N7 O29 Yb2 | P -1 | 14.2113; 18.558; 19.2 84.231; 70.788; 83.144 | 4737.3 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514613 | CIF | C72 H94 Fe3 N5 O25 Yb2 | P 1 21/c 1 | 19.9227; 19.679; 22.0382 90; 108.184; 90 | 8208.8 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514614 | CIF | C61 H115 Fe4 N7 O27 S2 Yb2 | P 1 21/c 1 | 14.449; 24.951; 23.76 90; 101.82; 90 | 8384 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514615 | CIF | C182 H353 Fe10 N51 O90 Yb10 | P -1 | 16.553; 20.5964; 21.1312 108.791; 101.118; 95.993 | 6583.9 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514616 | CIF | C46 H60 N2 O14 Yb2 | P 1 21/n 1 | 9.898; 14.2365; 17.039 90; 94.369; 90 | 2394 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514617 | CIF | C17 H31 Cl N2 O6 | P 31 | 32.591; 32.591; 5.1877 90; 90; 120 | 4772 | Merkx, Remco; de Bruin, Gerjan; Kruithof, Art; van den Bergh, Toine; Snip, Erwin; Lutz, Martin; El Oualid, Farid; Ovaa, Huib Scalable synthesis of γ-thiolysine starting from lysine and a side by side comparison with δ-thiolysine in non-enzymatic ubiquitination Chemical Science, 2013, 4, 4494 |
1514618 | CIF | C52 H62 N4 O10 S2 | P -1 | 7.5487; 12.3687; 13.3085 86.885; 79.43; 78.079 | 1194.98 | Wu, Guanglu; Verwilst, Peter; Liu, Kai; Smet, Mario; Faul, Charl F. J.; Zhang, Xi Controlling the self-assembly of cationic bolaamphiphiles: counterion-directed transitions from 0D/1D to exclusively 2D planar structures Chemical Science, 2013, 4, 4486 |
1514619 | CIF | C65 H88 Mg2 N4 O3 | P 21 21 21 | 10.8296; 22.4623; 24.9069 90; 90; 90 | 6058.8 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514620 | CIF | C59 H82 Mg2 N4 O3 | C 1 2/c 1 | 48.559; 13.67; 17.5247 90; 103.46; 90 | 11313.4 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514621 | CIF | C60 H82 Mg2 N4 O4 | P c c n | 14.5246; 15.621; 25.9215 90; 90; 90 | 5881.3 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514622 | CIF | C58 H84 Mg2 N4 O2 | C 1 2/c 1 | 22.886; 14.823; 16.196 90; 90.65; 90 | 5494 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514623 | CIF | C72 H104 Mg2 N4 O3 | P -1 | 12.168; 12.6241; 13.176 98.046; 111.433; 109.68 | 1692.2 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514624 | CIF | C73 H106 Mg2 N4 O4 | P 1 21/n 1 | 12.749; 14.372; 18.802 90; 95.03; 90 | 3431.8 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514625 | CIF | C59 H82 Mg2 N4 O S2 | P b c a | 14.86; 17.21; 45.3 90; 90; 90 | 11585 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514626 | CIF | C83 H116 Mg2 N6 O | P 31 2 1 | 12.0374; 12.0374; 44.799 90; 90; 120 | 5621.7 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514627 | CIF | C63 H92 Mg2 N4 O2 S2 | P -1 | 13.1816; 16.205; 31.9827 79.216; 83.332; 68.828 | 6249.3 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514628 | CIF | C26 H23 N O3 S | P 1 21 1 | 8.6436; 12.2137; 10.588 90; 100.721; 90 | 1098.27 | Nishimura, Takahiro; Nagamoto, Midori; Ebe, Yusuke; Hayashi, Tamio Enantioselective [3 + 2] annulation via C‒H activation between cyclic N-acyl ketimines and 1,3-dienes catalyzed by iridium/chiral diene complexes Chemical Science, 2013, 4, 4499 |
1514629 | CIF | C15 H16 N4 O4 | P 1 21/c 1 | 11.2358; 9.1056; 15.9131 90; 104.579; 90 | 1575.6 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514630 | CIF | C15 H15 F N4 O4 | P 1 21/c 1 | 11.30697; 9.06586; 15.94455 90; 105.28; 90 | 1576.66 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514631 | CIF | C15 H15 F N4 O4 | P -1 | 8.78113; 10.06607; 10.5609 105.871; 72.7172; 71.1516 | 769.83 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514632 | CIF | C15 H14 F2 N4 O4 | P 1 21/c 1 | 11.39598; 9.15968; 15.8701 90; 104.025; 90 | 1607.2 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514633 | CIF | C15 H14 F2 N4 O4 | P 1 21/c 1 | 11.36104; 9.11522; 15.8828 90; 101.777; 90 | 1610.2 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514634 | CIF | C15 H14 F2 N4 O4 | P 1 21/c 1 | 11.33562; 9.12362; 15.9442 90; 104.26; 90 | 1598.17 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514635 | CIF | C15 H12 F4 N4 O4 | P 1 21/c 1 | 14.263; 8.13716; 16.0129 90; 121.214; 90 | 1589.4 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514636 | CIF | C36 H20 N4 S4 | P 1 21/c 1 | 13.2146; 8.7249; 26.334 90; 98.44; 90 | 3003.32 | Mouri, Kazuhiro; Saito, Shohei; Hisaki, Ichiro; Yamaguchi, Shigehiro Thermal 8π electrocyclic reaction of heteroarene tetramers: new efficient access to π-extended cyclooctatetraenes Chemical Science, 2013, 4, 4465 |
1514637 | CIF | C42 H46 B2 F12 N10 O Rh2 | P 1 21/c 1 | 11.042; 32.589; 14.243 90; 100.66; 90 | 5036.9 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514638 | CIF | C40 H46 B2 F8 N12 Rh2 | P b c a | 14.135; 21.331; 31.17 90; 90; 90 | 9398 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514639 | CIF | C42 H48 B2 F8 N10 Rh2 | P b c a | 14.338; 21.619; 31.136 90; 90; 90 | 9651 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514640 | CIF | C42 H46 B2 F12 N10 O Rh2 | P 1 21/c 1 | 11.11; 31.777; 14.195 90; 101.13; 90 | 4917.2 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514641 | CIF | C40 H46 B2 F8 N12 Rh2 | P b c a | 14.126; 21.399; 31.434 90; 90; 90 | 9502 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514642 | CIF | C48 H46 B2 F8 N6 P2 Rh2 | P 1 21/c 1 | 22.272; 22.161; 22.409 90; 119.43; 90 | 9633 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514643 | CIF | C22 H20 O | P 1 21/c 1 | 16.0527; 5.5303; 20.7663 90; 115.425; 90 | 1665 | Franzoni, Ivan; Guénée, Laure; Mazet, Clément Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes Chemical Science, 2013, 4, 2619 |
1514644 | CIF | C20 H24 O2 | P b c a | 9.79459; 10.18235; 34.1007 90; 90; 90 | 3400.93 | Franzoni, Ivan; Guénée, Laure; Mazet, Clément Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes Chemical Science, 2013, 4, 2619 |
1514645 | CIF | C28 H27 Br F3 N O8 S | P 1 21 1 | 11.663; 5.822; 21.566 90; 100.89; 90 | 1438 | Zhang, Wei; Liu, Na; Schienebeck, Casi M.; Zhou, Xin; Izhar, Izarin I.; Guzei, Ilia A.; Tang, Weiping Enantioselective intermolecular bromoesterification of allylic sulfonamides Chemical Science, 2013, 4, 2652 |
1514646 | CIF | C19 H13 F2 N4 O3 Pt | P 1 21/m 1 | 6.9645; 25.7559; 9.9824 90; 99.152; 90 | 1767.82 | Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors Chemical Science, 2013, 4, 2630 |
1514647 | CIF | C20 H14 Cl2 F2 N4 O2 Pt | P 1 21/c 1 | 11.5589; 8.2655; 22.3063 90; 111.907; 90 | 1977.3 | Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors Chemical Science, 2013, 4, 2630 |
1514648 | CIF | C20.5 H13 Cl N3 | P -1 | 8.1851; 8.5344; 13.5521 94.129; 99.175; 114.976 | 836.84 | Koenig, Matthias; Bottari, Giovanni; Brancato, Giuseppe; Barone, Vincenzo; Guldi, Dirk M.; Torres, Tomás Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods Chemical Science, 2013, 4, 2502 |
1514650 | CIF | C54 H95 Fe N10 O6 | P 1 21 1 | 21.267; 11.483; 26.049 90; 111.875; 90 | 5903.4 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514651 | CIF | C29 H27 B2 Co F8 N5 O | C 1 2/c 1 | 21.346; 12.362; 12.855 90; 120.033; 90 | 2936.7 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514652 | CIF | C22 H15 F0 Fe N8 O | P 1 21/c 1 | 10.9398; 22.107; 16.8809 90; 92.003; 90 | 4080.1 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514653 | CIF | C107 H92 Co2 Fe2 N26 O5 | P 1 21/c 1 | 13.5995; 14.2091; 24.965 90; 103.148; 90 | 4697.7 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514654 | CIF | C107 H92 Co2 Fe2 N26 O5 | P 1 21/c 1 | 13.6545; 14.348; 25.328 90; 102.313; 90 | 4848 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514655 | CIF | C39 H17 B F15 P | P 1 21/n 1 | 9.9184; 20.5507; 17.2472 90; 101.677; 90 | 3442.74 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514656 | CIF | C34 H20 B F10 P | P 1 21/c 1 | 8.3314; 23.9142; 14.7962 90; 90.618; 90 | 2947.8 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514657 | CIF | C44 H26 B F15 N P | P 1 21/c 1 | 13.8351; 11.5678; 30.569 90; 101.896; 90 | 4787.2 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514658 | CIF | C39 H29 B F10 N P | P -1 | 10.1806; 10.4896; 17.7612 94.693; 95.33; 112.36 | 1732.34 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514659 | CIF | C46 H30 B Cl4 F15 N P | P 1 21/n 1 | 17.6472; 14.6343; 18.4267 90; 103.288; 90 | 4631.4 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514660 | CIF | C39.5 H30 B Cl F10 N P | C 1 2/c 1 | 39.1199; 16.3061; 23.4811 90; 97.421; 90 | 14853 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514661 | CIF | C34 H30 Br3 N O4 S | P 21 21 21 | 11.8916; 15.4391; 17.7101 90; 90; 90 | 3251.5 | Chen, Xingkuan; Fang, Xinqiang; Chi, Yonggui Robin cis-Enals in N-heterocyclic carbene-catalyzed reactions: distinct stereoselectivity and reactivity Chemical Science, 2013, 4, 2613 |
1514662 | CIF | C32 H37 Cl6 Ir N2 O3 | P 21 21 21 | 8.5561; 28.71; 29.726 90; 90; 90 | 7302.1 | Owens, Clayton P.; Varela-Álvarez, Adrián; Boyarskikh, Vyacheslav; Musaev, Djamaladdin G.; Davies, Huw M. L.; Blakey, Simon B. Iridium(iii)-bis(oxazolinyl)phenyl catalysts for enantioselective C‒H functionalization Chemical Science, 2013, 4, 2590 |
1514663 | CIF | C15 H10 F2 O | P 1 21/c 1 | 6.6609; 9.7886; 18.8033 90; 106.893; 90 | 1173.09 | Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system Chemical Science, 2013, 4, 2418 |
1514664 | CIF | C15 H12 O | P 1 21/c 1 | 5.8262; 21.4617; 9.2279 90; 95.017; 90 | 1149.44 | Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system Chemical Science, 2013, 4, 2418 |
1514665 | CIF | C55 H54 F6 N O10 P | P 1 21/n 1 | 14.0847; 15.7003; 25.3994 90; 91.481; 90 | 5614.8 | Suresh, Moorthy; Mandal, Amal Kumar; Suresh, E.; Das, Amitava First demonstration of two-step FRET in a synthetic supramolecular assembly Chemical Science, 2013, 4, 2380 |
1514666 | CIF | C28 H18 | C 1 2/c 1 | 23.095; 4.8656; 18.761 90; 122.671; 90 | 1774.6 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514667 | CIF | C32 H14 F12 | P -1 | 8.283; 12.769; 13.17 80.39; 77.65; 71.77 | 1285 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514668 | CIF | C32 H25 O4 | P -1 | 14.463; 15.645; 17.602 107.771; 98.2863; 105.005 | 3554 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514669 | CIF | C36 H34 O8 | P 1 21/c 1 | 11.38; 8.787; 15.36 90; 111.613; 90 | 1428 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514670 | CIF | C32 H20 F6 O2 | P 1 21/n 1 | 17.55; 7.302; 18.848 90; 94.759; 90 | 2407 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514671 | CIF | C32 H24 O2 | P -1 | 10.094; 12.055; 19.805 81.395; 80.7; 89.36 | 2351 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514672 | CIF | C22 H18 O4 | P 1 21/n 1 | 11.675; 5.0054; 14.303 90; 98.451; 90 | 826.8 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514673 | CIF | C12 H15 F3 O3 | P -1 | 10.4133; 12.3601; 16.6001 111.7; 102.333; 93.499 | 1916.15 | Lu, Deng-Fu; Zhu, Cheng-Liang; Xu, Hao Copper(i)-catalyzed diastereoselective hydroxytrifluoromethylation of dienes accelerated by phosphine ligands Chemical Science, 2013, 4, 2478 |
1514674 | CIF | C20 H20 F N O S | P 1 21/n 1 | 6.7008; 14.8959; 16.9986 90; 93.806; 90 | 1692.96 | Zhang, Gen; Ma, Yunxia; Wang, Shoulei; Kong, Weidong; Wang, Rui Chiral organic contact ion pairs in metal-free catalytic enantioselective oxidative cross-dehydrogenative coupling of tertiary amines to ketones Chemical Science, 2013, 4, 2645 |
1514675 | CIF | C20 H13 N3 S | P -1 | 8.3008; 10.0109; 10.1613 76.211; 79.041; 87.821 | 805.07 | Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes Chemical Science, 2013, 4, 1964 |
1514676 | CIF | C22 H23 Cl N3 Rh | P -4 21 c | 22.2937; 22.2937; 8.766 90; 90; 90 | 4356.78 | Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes Chemical Science, 2013, 4, 1964 |
1514677 | CIF | C40 H54 I N3 O Pd | P 1 | 11.3782; 12.8716; 13.5328 103.493; 91.2746; 90.1766 | 1926.7 | Larionov, Evgeny; Nakanishi, Masafumi; Katayev, Dmitry; Besnard, Céline; Kündig, E. Peter Scope and mechanism of asymmetric C(sp3)‒H/C(Ar)‒X coupling reactions: computational and experimental study Chemical Science, 2013, 4, 1995 |
1514682 | CIF | C28 H27 Cl N2 O S | P 21 21 21 | 11.741; 12.62; 15.891 90; 90; 90 | 2354.6 | Robinson, Emily R. T.; Fallan, Charlene; Simal, Carmen; Slawin, Alexandra M. Z.; Smith, Andrew D. Anhydrides as α,β-unsaturated acyl ammonium precursors: isothiourea-promoted catalytic asymmetric annulation processes Chemical Science, 2013, 4, 2193 |
1514687 | CIF | C35 H48 Cl N3 O2 | P 1 21/c 1 | 10.3948; 12.9525; 25.0752 90; 92.424; 90 | 3373.1 | Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E. Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene Chemical Science, 2013, 4, 2117 |
1514688 | CIF | C39 H53 B2 F8 N3 O3 | P -1 | 8.9329; 15.3817; 16.3064 79.606; 81.358; 75.254 | 2118.34 | Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E. Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene Chemical Science, 2013, 4, 2117 |
1514689 | CIF | C79 H48 Cl5 | P -1 | 12.2674; 13.4426; 19.906 83.633; 76.942; 65.569 | 2910.8 | Xiao, Shengxiong; Kang, Seok Ju; Wu, Ying; Ahn, Seokhoon; Kim, Jong Bok; Loo, Yueh-Lin; Siegrist, Theo; Steigerwald, Michael L.; Li, Hexing; Nuckolls, Colin Supersized contorted aromatics Chemical Science, 2013, 4, 2018 |
1514690 | CIF | C16 H23 N O2 | P -1 | 8.796; 8.8679; 10.3885 75.311; 80.306; 71.263 | 738.95 | Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines Chemical Science, 2013, 4, 2241 |
1514691 | CIF | C24 H28 F3 N O2 | P 1 21/c 1 | 9.7796; 10.0791; 21.9689 90; 96.101; 90 | 2153.2 | Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines Chemical Science, 2013, 4, 2241 |
1514692 | CIF | C20 H29 N O2 | P -1 | 10.7367; 11.183; 16.106 76.241; 75.622; 77.643 | 1794.66 | Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines Chemical Science, 2013, 4, 2241 |
1514693 | CIF | C21 H27 Br N O3.5 | P -1 | 8.953; 9.856; 14.208 89.921; 72.269; 70.983 | 1122.3 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514694 | CIF | C19 H22 Br N O4 | C 1 2 1 | 28.468; 6.5087; 10.903 90; 101.161; 90 | 1982 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514695 | CIF | C20 H27 N O4 | P n a 21 | 16.349; 11.424; 20.499 90; 90; 90 | 3828.6 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514696 | CIF | C21 H26 Cl N O4 | P 1 21/n 1 | 13.807; 9.648; 15.895 90; 95.425; 90 | 2107.9 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514697 | CIF | C19 H22 Cl N O3 | P 1 21/n 1 | 12.2391; 13.5132; 12.6257 90; 118.77; 90 | 1830.4 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514698 | CIF | C21 H26 Br N O3 | P 1 21/n 1 | 19.981; 10.4357; 20.133 90; 104.963; 90 | 4055.7 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514699 | CIF | C19 H25 N O3 | P 1 21/c 1 | 9.0052; 19.3148; 11.0511 90; 110.477; 90 | 1800.7 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514700 | CIF | C19 H25 N O3 | P 21 21 21 | 8.2536; 12.3017; 17.9593 90; 90; 90 | 1823.47 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514701 | CIF | C16 H20 N2 O3.33 | P 1 21 1 | 9.4884; 7.3139; 12.2804 90; 105.801; 90 | 820.02 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514702 | CIF | C19 H27 N O4 | P 1 21 1 | 10.7474; 7.1883; 12.3435 90; 112.278; 90 | 882.42 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514703 | CIF | C42 H34 B F15 O2 Sc | C 1 2/c 1 | 29.7078; 13.6826; 21.4688 90; 114.327; 90 | 7951.8 | Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide Chemical Science, 2013, 4, 2152 |
1514704 | CIF | C42 H36 B F15 Sc | P 1 21/n 1 | 13.9542; 16.0174; 17.9508 90; 97.5764; 90 | 3977.16 | Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide Chemical Science, 2013, 4, 2152 |
1514705 | CIF | C19 H21 N O3 | P -1 | 6.229; 11.758; 12.009 88.61; 77.64; 83.8 | 854.1 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1514706 | CIF | C15 H12 F N O3 | P 1 21/n 1 | 14.6982; 4.5311; 19.448 90; 97.309; 90 | 1284.7 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1514707 | CIF | C17 H17 N O6 S | P -1 | 5.707; 7.877; 18.99 98.61; 91.4; 91.03 | 844 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1514708 | CIF | C15 H8 F5 N O3 | P 1 21 1 | 7.89; 5.6; 16.51 90; 102.65; 90 | 712 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1514709 | CIF | C92 H96 Mo2 N4 O10 S2 | P -1 | 12.6203; 13.1151; 13.4075 81.395; 89.382; 84.039 | 2182.29 | Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F. MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states Chemical Science, 2013, 4, 2105 |
1514710 | CIF | C88 H100 Mo2 N4 O11 | P -1 | 12.843; 16.816; 21.696 74.31; 76.48; 72.72 | 4247 | Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F. MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states Chemical Science, 2013, 4, 2105 |
1514711 | CIF | C14 H12 N2 | P 1 21 1 | 12.1824; 7.56; 12.3739 90; 106.815; 90 | 1090.9 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514712 | CIF | C15 H17 N5 O2 | P 1 21/c 1 | 10.8034; 6.9959; 19.4702 90; 102.269; 90 | 1437.94 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514713 | CIF | C16 H11 N O S | P n a 21 | 23.0013; 5.0777; 11.154 90; 90; 90 | 1302.72 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514714 | CIF | C10 H5 F N2 S | P 1 21/n 1 | 6.7553; 9.2885; 14.5501 90; 95.168; 90 | 909.26 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514715 | CIF | C16 H12 N O2 S | P 1 | 6.0479; 8.1021; 14.5564 81.543; 83.748; 72.375 | 670.83 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514716 | CIF | C13 H13 F3 N2 O4 S | P -1 | 6.2339; 8.9683; 14.0067 81.624; 89.228; 75.671 | 750.42 | Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents Chemical Science, 2013, 4, 2177 |
1514717 | CIF | C15 H17 F3 N2 O4 S | P 1 21/c 1 | 9.6013; 7.0186; 25.4572 90; 92.806; 90 | 1713.44 | Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents Chemical Science, 2013, 4, 2177 |
1514718 | CIF | C37 H49.95 Ga Mn N2 O2 | P 1 21/n 1 | 10.1814; 20.4882; 16.7346 90; 103.158; 90 | 3399.16 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514719 | CIF | C34 H41 Ga Mo N2 O5 | P 43 21 2 | 9.083; 9.083; 41.8928 90; 90; 90 | 3456.19 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514720 | CIF | C34 H41 Ga N2 O5 W | P b n m | 9.15777; 35.5896; 21.105 90; 90; 90 | 6878.57 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514721 | CIF | C36 H41 Co2 Ga N2 O7 | P -1 | 8.8239; 19.5134; 21.404 90.0148; 89.9906; 90.0029 | 3685.43 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514722 | CIF | C33 H42 Ga Mn N2 O4 | P 1 21/m 1 | 8.86; 21.5544; 9.0818 90; 108.601; 90 | 1643.77 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514723 | CIF | C33 H41 Cl Co Ga N2 O4 | C 1 2/c 1 | 21.4272; 16.8902; 21.5723 90; 108.729; 90 | 7393.79 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514724 | CIF | C37 H48 Ga Mn N2 O2 | P -1 | 8.8327; 18.3781; 20.6752 90.0077; 90.0065; 85.7423 | 3346.91 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514725 | CIF | C65 H53 B Co F24 Ga N2 O4 | P -1 | 12.5663; 13.2686; 20.7262 78.4857; 83.9447; 83.4912 | 3352.25 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514726 | CIF | C16 H16 O4 S | P -1 | 10.8453; 12.173; 12.2364 109.364; 106.53; 98.626 | 1406.8 | Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V. The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus Chemical Science, 2013, 4, 4267 |
1514727 | CIF | C16 H14 Cl2 O4 | P -1 | 3.9099; 13.413; 14.207 82.606; 86.888; 82.453 | 731.9 | Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V. The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus Chemical Science, 2013, 4, 4267 |
1514728 | CIF | C34 H30 Au O4 P S2 | P c a 21 | 23.574; 11.1504; 23.342 90; 90; 90 | 6135.7 | Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V. The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus Chemical Science, 2013, 4, 4267 |
1514729 | CIF | C15.5 H15 Cl3 N2 Pt S | P -1 | 9.6661; 13.0872; 15.6977 111.029; 90.575; 108.683 | 1738.24 | Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A. Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands Chemical Science, 2013, 4, 4193 |
1514730 | CIF | C35 H33 B Cl F4 N2 P Pt S2 | P -1 | 9.4153; 12.0408; 16.6958 102.425; 100.136; 104.304 | 1737.82 | Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A. Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands Chemical Science, 2013, 4, 4193 |
1514731 | CIF | C35 H33 B2 F8 N2 P Pt S2 | P 1 21/c 1 | 10.295; 9.8283; 34.0318 90; 94.67; 90 | 3431.99 | Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A. Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands Chemical Science, 2013, 4, 4193 |
1514732 | CIF | C30 H42 N2 Si | P 1 21/a 1 | 15.1354; 9.24; 20.128 90; 101.781; 90 | 2755.63 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
1514733 | CIF | C38 H58 Mg N2 O2 Si | P -1 | 11.294; 12.168; 13.604 96.759; 90.61; 90.961 | 1856.13 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
1514734 | CIF | C44 H68 Mg N2 O3.5 Si | P 1 21/n 1 | 10.031; 30.017; 16.556 90; 104.903; 90 | 4817.34 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
1514735 | CIF | C49 H72 Ca N2 O3 Si | P 1 21/n 1 | 10.2642; 22.7621; 20.7835 90; 98.249; 90 | 4805.5 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
1514736 | CIF | C46 H71 N2 O4 Si Sr | P 1 21 1 | 10.37; 18.852; 12.632 90; 113.607; 90 | 2262.83 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
1514737 | CIF | C20 H18 F3 N3 O3 | C 1 2/c 1 | 27.371; 7.0453; 18.8951 90; 99.01; 90 | 3598.7 | Lee, Min Hee; Yoon, Byungkwon; Kim, Jong Seung; Sessler, Jonathan L. Naphthalimide trifluoroacetyl acetonate: a hydrazine-selective chemodosimetric sensor Chemical Science, 2013, 4, 4121 |
1514738 | CIF | C47 H77 N2 Na O3 Zn | P 21 21 21 | 11.948; 15.878; 24.9404 90; 90; 90 | 4731.5 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
1514739 | CIF | C35 H54 N2 Zn | P -1 | 9.7795; 10.1033; 20.1669 90.336; 103.989; 118.932 | 1674.4 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
1514740 | CIF | C71 H127 N2 Na O7 Zn2 | P 1 21/c 1 | 12.5177; 33.2445; 18.2146 90; 100.694; 90 | 7448.3 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
1514741 | CIF | C39 H63 Li N2 Zn | P b c a | 21.8628; 22.1892; 31.9347 90; 90; 90 | 15492.1 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
1514742 | CIF | C45 H50 Au2 Cl N2 P | P -1 | 9.2833; 14.4759; 16.9188 68.109; 81.38; 86.27 | 2085.74 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
1514743 | CIF | C18 H12 Br F3 O2 | P 1 21 1 | 11.822; 47.948; 12.119 90; 104.545; 90 | 6649 | Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study Chemical Science, 2013, 4, 4146 |
1514744 | CIF | C22 H19 F3 O2 | P 1 21 1 | 6.039; 27.449; 11.299 90; 104.404; 90 | 1814 | Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study Chemical Science, 2013, 4, 4146 |
1514745 | CIF | C19 H20 N2 S | P 21 21 21 | 7.934; 10.719; 18.419 90; 90; 90 | 1566.4 | Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study Chemical Science, 2013, 4, 4146 |
1514746 | CIF | C18 H17 F3 O2 | C 1 2 1 | 19.358; 9.419; 8.186 90; 90.979; 90 | 1492.4 | Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study Chemical Science, 2013, 4, 4146 |
1514747 | CIF | C31 H32 Cl2 N2 O4 | P -1 | 8.3666; 10.8236; 17.2119 84.42; 79.713; 75.288 | 1481.1 | Ghorai, Suman; Sumrak, Joseph C.; Hutchins, Kristin M.; Bučar, Dejan-Krešimir; Tivanski, Alexei V.; MacGillivray, Leonard R. From co-crystals to functional thin films: photolithography using [2+2] photodimerization Chemical Science, 2013, 4, 4304 |
1514748 | CIF | C160 H178 Cd3 N14 O27 Ti4 | P 6 2 2 | 32.0273; 32.0273; 29.1427 90; 90; 120 | 25888.2 | Xuan, Weimin; Ye, Chengcheng; Zhang, Mengni; Chen, Zhijie; Cui, Yong A chiral porous metallosalan-organic framework containing titanium-oxo clusters for enantioselective catalytic sulfoxidation Chemical Science, 2013, 4, 3154 |
1514749 | CIF | C24 H16 B2 O3 | P 1 21/n 1 | 9.4797; 45.49; 21.7415 90; 92.764; 90 | 9364.7 | Dimitrijević, Elena; Taylor, Mark S. 9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols Chemical Science, 2013, 4, 3298 |
1514750 | CIF | C26 H22 B2 N2 O | P b c a | 10.6981; 14.3379; 26.3743 90; 90; 90 | 4045.5 | Dimitrijević, Elena; Taylor, Mark S. 9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols Chemical Science, 2013, 4, 3298 |
1514752 | CIF | C47 H97 N O6 S Si9 | P -1 | 13.583; 15.995; 16.961 110.618; 111.892; 93.2 | 3125.1 | Brady, Patrick B.; Albert, Brian J.; Akakura, Matsujiro; Yamamoto, Hisashi Controlling stereochemistry in polyketide synthesis: 1,3- vs. 1,2-asymmetric induction in methyl ketone aldol additions to β-super siloxy aldehydes Chemical Science, 2013, 4, 3223 |
1514754 | CIF | C79.5 H115.5 Co3 N8.5 O34.5 | P n m a | 17.564; 25.629; 20.8 90; 90; 90 | 9363 | Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters Chemical Science, 2013, 4, 3232 |
1514755 | CIF | C79.5 H109.5 Co3 N8.5 O31.5 | P n m a | 17.5608; 25.3474; 20.8804 90; 90; 90 | 9294.3 | Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters Chemical Science, 2013, 4, 3232 |
1514756 | CIF | C78 H106 Co3 N8 O31 | P n m a | 17.446; 27.758; 18.762 90; 90; 90 | 9086 | Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters Chemical Science, 2013, 4, 3232 |
1514757 | CIF | C122 H178 Co6 N14 O46 | I m -3 | 27.2496; 27.2496; 27.2496 90; 90; 90 | 20233.9 | Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters Chemical Science, 2013, 4, 3232 |
1514759 | CIF | C18 H18 I2 O2 | P 21 21 21 | 7.7537; 8.7833; 28.0793 90; 90; 90 | 1912.29 | Gómez-Bengoa, Enrique; García, Jesús M.; Jiménez, Sandra; Lapuerta, Irati; Mielgo, Antonia; Odriozola, José M.; Otazo, Itziar; Razkin, Jesús; Urruzuno, Iñaki; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio Asymmetric synthesis of propargylic alcohols via aldol reaction of aldehydes with ynals promoted by prolinol ether‒transition metal‒Brønsted acid cooperative catalysis Chemical Science, 2013, 4, 3198 |
1514762 | CIF | C95 H74 B Cl6 O4 P2 Rh | P 1 21/c 1 | 19.3718; 20.1092; 21.506 90; 93.7932; 90 | 8359.34 | Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M. Chiral recognition in contact ion-pairs; observation, characterization and analysis Chemical Science, 2013, 4, 3140 |
1514763 | CIF | C98 H80 B Cl6 O5 P2 Rh | P 21 21 21 | 15.7224; 20.2138; 25.7426 90; 90; 90 | 8181.2 | Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M. Chiral recognition in contact ion-pairs; observation, characterization and analysis Chemical Science, 2013, 4, 3140 |
1514764 | CIF | C96 H76 B Cl8 O4 P2 Rh | P 1 21 1 | 11.8286; 25.5279; 14.3047 90; 111.974; 90 | 4005.65 | Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M. Chiral recognition in contact ion-pairs; observation, characterization and analysis Chemical Science, 2013, 4, 3140 |
1514765 | CIF | C200 H256 Si8 | P 1 2/n 1 | 16.179; 17.461; 32.012 90; 95.835; 90 | 8997 | Matsuno, Taisuke; Kamata, Sho; Hitosugi, Shunpei; Isobe, Hiroyuki Bottom-up synthesis and structures of π-lengthened tubular macrocycles Chemical Science, 2013, 4, 3179 |
1514766 | CIF | C58 H78 Br6 Dy N9 O14 Zn2 | P b c a | 22.0395; 16.0165; 39.3819 90; 90; 90 | 13901.6 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
1514767 | CIF | C54 H62 Br6 Dy N9 O10 Zn2 | P b c a | 20.5186; 16.4699; 37.585 90; 90; 90 | 12701.4 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
1514768 | CIF | C58 H78 Br6 Dy N9 O14 Zn2 | P b c a | 21.893; 15.9613; 39.306 90; 90; 90 | 13735.1 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
1514769 | CIF | C67 H101 Ag2 F3 N4 O6 S | P -1 | 10.5882; 16.8592; 20.8 74.883; 79.955; 76.103 | 3454.7 | Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P. A dinuclear silver hydride and an umpolung reaction of CO2 Chemical Science, 2013, 4, 3068 |
1514770 | CIF | C63 H93 Ag2 F3 N4 O5 S | P 1 21/n 1 | 14.8245; 23.508; 19.9054 90; 110.118; 90 | 6513.7 | Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P. A dinuclear silver hydride and an umpolung reaction of CO2 Chemical Science, 2013, 4, 3068 |
1514771 | CIF | C44 H38 F6 N4 O8 S2 | P -1 | 11.445; 12.104; 17.978 77.35; 76.4; 65.63 | 2184 | Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core Chemical Science, 2013, 4, 3288 |
1514772 | CIF | C40 H28 N4 S2 | P 1 21/c 1 | 9.6569; 10.14; 18.898 90; 118.42; 90 | 1627.5 | Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core Chemical Science, 2013, 4, 3288 |
1514773 | CIF | C24 H14 | P 1 21/c 1 | 11.6522; 5.4552; 11.4821 90; 90.607; 90 | 729.82 | Shan, Liang; Liang, Zhixiong; Xu, Xiaomin; Tang, Qin; Miao, Qian Revisiting zethrene: synthesis, reactivity and semiconductor properties Chemical Science, 2013, 4, 3294 |
1514774 | CIF | C216 H289 Cl2 Gd36 N51 O193 | P -1 | 21.545; 23.046; 23.372 94.535; 115.193; 115.679 | 8956 | Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun Two polymeric 36-metal pure lanthanide nanosize clusters Chemical Science, 2013, 4, 3104 |
1514775 | CIF | C216 H289 Cl2 Dy36 N51 O193 | P -1 | 21.545; 22.886; 23.17 94.32; 115.373; 115.639 | 8817 | Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun Two polymeric 36-metal pure lanthanide nanosize clusters Chemical Science, 2013, 4, 3104 |
1514780 | CIF | C28 H32 F9 La N9 O10 P S4 | P 1 21/n 1 | 11.106; 16.93; 22 90; 91.61; 90 | 4134.9 | Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes Chemical Science, 2013, 4, 3717 |
1514781 | CIF | C54 H61 F18 N19 O19 P2 S8 Sm2 | P 1 21/c 1 | 9.764; 19.857; 22.899 90; 97.37; 90 | 4403.1 | Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes Chemical Science, 2013, 4, 3717 |
1514782 | CIF | C30 H33 F9 N12 O9 P Pu S4 | P -1 | 13.2866; 13.3751; 13.849 83.93; 70.156; 80.123 | 2277.65 | Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes Chemical Science, 2013, 4, 3717 |
1514783 | CIF | C17 H20 N4 Ni | P 1 21/c 1 | 14.9461; 7.3243; 15.6793 90; 112.463; 90 | 1586.18 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514784 | CIF | C36 H40 F6 N8 Ni2 O6 S2 | P -1 | 10.076; 10.6657; 19.6623 90.05; 97.94; 105.384 | 2016.3 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514785 | CIF | C25 H36 K N4 Ni O2 | P 1 21/n 1 | 10.5982; 12.3634; 19.8165 90; 95.155; 90 | 2586 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514786 | CIF | C23 H29 F12 N7 Ni P2 | C 1 c 1 | 9.223; 23.7522; 15.2139 90; 107.35; 90 | 3181.2 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514787 | CIF | C35 H56 K N6 Ni O6 | P 1 21/c 1 | 12.7277; 21; 28.837 90; 99.126; 90 | 7610 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514788 | CIF | C70 H106 K2 N12 Ni O12 | C 1 2/c 1 | 34.46; 10.852; 23.144 90; 100.903; 90 | 8499 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514789 | CIF | C31 H22 N2 | P b c a | 9.7242; 17.6641; 25.6425 90; 90; 90 | 4404.59 | Yang, Zhiyong; Qin, Wei; Lam, Jacky W. Y.; Chen, Sijie; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong Fluorescent pH sensor constructed from a heteroatom-containing luminogen with tunable AIE and ICT characteristics Chemical Science, 2013, 4, 3725 |
1514790 | CIF | C17 H15 N O | P 1 21/c 1 | 9.1485; 13.8946; 10.4647 90; 102.948; 90 | 1296.4 | Cui, Sunliang; Zhang, Yan; Wu, Qifan Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation Chemical Science, 2013, 4, 3421 |
1514791 | CIF | C19.5 H18.5 Cl2.5 N O | P 1 21/c 1 | 23.247; 9.9836; 16.0069 90; 90.649; 90 | 3714.8 | Cui, Sunliang; Zhang, Yan; Wu, Qifan Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation Chemical Science, 2013, 4, 3421 |
1514792 | CIF | C16 H14 Cl3 N O2 | P b c a | 9.7761; 14.7382; 24.0669 90; 90; 90 | 3467.6 | Cui, Sunliang; Zhang, Yan; Wu, Qifan Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation Chemical Science, 2013, 4, 3421 |
1514793 | CIF | C17 H15 N O2 | P 21 21 21 | 6.4122; 12.077; 16.676 90; 90; 90 | 1291.4 | Ozaki, Kyohei; Zhang, Hua; Ito, Hideto; Lei, Aiwen; Itami, Kenichiro One-shot indole-to-carbazole π-extension by a Pd‒Cu‒Ag trimetallic system Chemical Science, 2013, 4, 3416 |
1514794 | CIF | C24.5 H28.5 Cl1.5 N4 O6 Ru | P 1 21/c 1 | 8.906; 17.7086; 17.021 90; 91.073; 90 | 2684 | Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W. Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study Chemical Science, 2013, 4, 3731 |
1514795 | CIF | C34 H31 Cl3 N4 O6 Ru | C 1 2/c 1 | 23.297; 12.4626; 25.803 90; 115.977; 90 | 6734.8 | Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W. Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study Chemical Science, 2013, 4, 3731 |
1514796 | CIF | C66 H58 Cl4 Co2 N8 O21 | P -1 | 9.1898; 11.3905; 16.2931 78.018; 82.142; 76.846 | 1617.39 | Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W. Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study Chemical Science, 2013, 4, 3731 |
1514797 | CIF | C14 H17 Br N2 O4 S | P 21 21 21 | 7.6678; 13.5683; 14.958 90; 90; 90 | 1556.2 | Miles, Dillon H.; Veguillas, Marcos; Toste, F. Dean Gold(i)-catalyzed enantioselective bromocyclization reactions of allenes Chemical Science, 2013, 4, 3427 |
1514798 | CIF | C21 H18 Cu N5 O4 | P 1 21/c 1 | 9.876; 9.295; 22.594 90; 106.8; 90 | 1985.5 | Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions Chemical Science, 2013, 4, 3678 |
1514799 | CIF | C20 H16 Cu N5 O4 | P 1 21/c 1 | 9.399; 9.848; 21.834 90; 102.09; 90 | 1976.2 | Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions Chemical Science, 2013, 4, 3678 |
1514800 | CIF | C21 H18 Cu N5 O4 | P 1 21/c 1 | 9.93; 9.3445; 22.717 90; 106.94; 90 | 2016.5 | Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions Chemical Science, 2013, 4, 3678 |
1514801 | CIF | C24 H28 Cl3 N O6 Pd S | P 1 21 1 | 9.3736; 15.178; 10.1053 90; 107.302; 90 | 1372.7 | Yamaguchi, Kazuya; Kondo, Hiroki; Yamaguchi, Junichiro; Itami, Kenichiro Aromatic C‒H coupling with hindered arylboronic acids by Pd/Fe dual catalysts Chemical Science, 2013, 4, 3753 |
1514802 | CIF | C45 H51 N3 P3 V | P -1 | 10.0198; 11.1462; 19.6789 85.018; 79.607; 74.258 | 2078.99 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514803 | CIF | C48 H57 Fe I N3 O0.75 P3 V | P -1 | 10.7003; 22.3479; 22.519 62.001; 81.313; 88.637 | 4693.3 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514804 | CIF | C48 H60 Fe N3 P4 V | P -3 c 1 | 16.3841; 16.3841; 22.8729 90; 90; 120 | 5317.4 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514805 | CIF | C60 H69 Fe N4 P4 V | P 1 21/c 1 | 13.0944; 14.5742; 28.469 90; 95.9356; 90 | 5403.9 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514806 | CIF | C48 H57 F Fe I N3 O0.75 P3 V | P -1 | 10.7611; 22.0867; 22.4678 63.268; 80.585; 85.642 | 4705.1 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514807 | CIF | C10 H20 Cl2 N4 Ni | P 1 21/n 1 | 8.0672; 13.6398; 12.88 90; 100.756; 90 | 1392.4 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514808 | CIF | C6 H13 Cl2 N2 P | P b c a | 7.768; 12.985; 19.423 90; 90; 90 | 1959.1 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514809 | CIF | C11 H15 Cl2 N2 P | C 1 2/c 1 | 19.24; 11.531; 15.038 90; 128.66; 90 | 2605.2 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514810 | CIF | C5 H10 Cl3 N2 P | P 1 21/c 1 | 11.4381; 7.717; 12.979 90; 122.697; 90 | 964.09 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514811 | CIF | C10 H20 Cl2 N4 Pd | P 1 21/n 1 | 8.9858; 12.0174; 13.4315 90; 104.706; 90 | 1402.9 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514812 | CIF | C5 H11 F4 N2 P | P -1 | 7.375; 7.56; 8.6846 74.688; 76.04; 62.6 | 410.6 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514813 | CIF | C5 H10 Cl4 N2 Si | P b c a | 12.8424; 12.65; 13.2356 90; 90; 90 | 2150.21 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514814 | CIF | C26 H18 Fe | P -1 | 7.1257; 9.7812; 14.6087 74.587; 81.231; 70.49 | 922.94 | Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A. On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies Chemical Science, 2013, 4, 437 |
1514815 | CIF | C25 H21 Fe N3 | P 1 21 1 | 11.3194; 5.7682; 14.8959 90; 94.364; 90 | 969.77 | Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A. On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies Chemical Science, 2013, 4, 437 |
1514816 | CIF | C24 H18 Fe | P 1 21/c 1 | 21.166; 9.936; 8.1878 90; 92.968; 90 | 1719.6 | Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A. On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies Chemical Science, 2013, 4, 437 |
1514817 | CIF | C18 H12 O2 | C 1 c 1 | 20.7703; 20.6316; 23.952 90; 102.233; 90 | 10031 | Cheng, Ming; Yan, Jianwei; Hu, Feng; Chen, Hong; Hu, Youhong Palladium-catalyzed cascade reactions of 3-iodochromones with aryl iodides and norbornadiene leading to annulated xanthones Chemical Science, 2013, 4, 526 |
1514818 | CIF | C10 H17 Cl N4 Ni O6 | P 1 21/n 1 | 7.3309; 16.9368; 12.1796 90; 95.441; 90 | 1505.43 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514819 | CIF | C22 H40 Cl2 N8.5 Ni O10 Zn | P 1 21/n 1 | 11.5005; 20.8961; 14.2514 90; 109.637; 90 | 3225.65 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514820 | CIF | C22 H42 Cl2 N8 Ni O10 Zn | P 1 21/n 1 | 11.5533; 22.0368; 12.9726 90; 104.81; 90 | 3193.1 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514821 | CIF | C21 H40 Cl N7 Ni O8 Zn | C 1 2/c 1 | 18.853; 18.337; 16.409 90; 90.05; 90 | 5673 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514822 | CIF | C19 H37 Cl N8 Ni O8 Zn | P 1 | 8.5274; 12.4106; 13.0776 98.754; 96.004; 90.074 | 1360.17 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514823 | CIF | C110 H150 B2 Cl2 N18 Ni2 O16 Zn2 | P -1 | 11.7327; 15.5512; 17.9328 67.784; 71.146; 77.96 | 2852.6 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514824 | CIF | C61 H89 B N7 Ni O6.5 Zn | P -1 | 11.9784; 19.7901; 26.294 104.912; 91.396; 98.3 | 5947.7 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514825 | CIF | C77 H100 B N7 Ni O6 P Zn | P 1 21/c 1 | 21.7065; 13.6234; 24.045 90; 90.533; 90 | 7110.2 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514826 | CIF | C55 H74 B N7 Ni O5 Zn | P 1 21/c 1 | 17.2117; 12.9449; 24.7109 90; 101.43; 90 | 5396.5 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514827 | CIF | C57 H72 N14 O15 | P -1 | 14.1445; 14.338; 16.719 86.271; 81.687; 61.358 | 2944.5 | Moore, Stephen J.; Haynes, Cally J. E.; González, Jorge; Sutton, Jennifer L.; Brooks, Simon J.; Light, Mark E.; Herniman, Julie; Langley, G. John; Soto-Cerrato, Vanessa; Pérez-Tomás, Ricardo; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A. Chloride, carboxylate and carbonate transport by ortho-phenylenediamine-based bisureas Chemical Science, 2013, 4, 103 |
1514828 | CIF | C38 H33 Co F9 N8 O6 S2 | C 1 2/c 1 | 23.898; 15.593; 23.95 90; 109.468; 90 | 8414.5 | Sun, Yujie; Sun, Jianwei; Long, Jeffrey R.; Yang, Peidong; Chang, Christopher J. Photocatalytic generation of hydrogen from water using a cobalt pentapyridine complex in combination with molecular and semiconductor nanowire photosensitizers Chemical Science, 2013, 4, 118 |
1514830 | CIF | C20 H18 Fe O4 Si | P 1 21 1 | 7.151; 29.386; 9.6851 90; 100.773; 90 | 1999.4 | Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun Studies of iron-mediated Pauson‒Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle Chemical Science, 2013, 4, 238 |
1514831 | CIF | C25 H38 O2 Si2 | P 1 21/n 1 | 12.129; 8.192; 26.318 90; 102.587; 90 | 2552.1 | Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun Studies of iron-mediated Pauson‒Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle Chemical Science, 2013, 4, 238 |
1514832 | CIF | C30 H52 Fe N2 Si2 | P -1 | 8.8101; 9.1759; 11.1624 102.467; 92.503; 113.932 | 796.59 | Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R. Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes Chemical Science, 2013, 4, 125 |
1514833 | CIF | C60 H76 Fe0.93 N2 | P 1 21/n 1 | 10.8937; 20.234; 11.2231 90; 90.829; 90 | 2473.6 | Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R. Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes Chemical Science, 2013, 4, 125 |
1514834 | CIF | C18.87 H19.16 N2 O2 Zn | I b c a | 13.9562; 23.5904; 23.5858 90; 90; 90 | 7765.2 | He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds Chemical Science, 2013, 4, 351 |
1514835 | CIF | C12 H10 N2 O2 Zn | I b c a | 13.9249; 23.653; 23.637 90; 90; 90 | 7785.2 | He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds Chemical Science, 2013, 4, 351 |
1514836 | CIF | C58 H60 Au2 I2 O2 P4 | P -1 | 11.83; 11.9725; 12.3591 65.098; 69.838; 65.309 | 1411.99 | Lim, Sang Ho; Olmstead, Marilyn M.; Balch, Alan L. Inorganic topochemistry. Vapor-induced solid state transformations of luminescent, three-coordinate gold(i) complexes Chemical Science, 2013, 4, 311 |
1514837 | CIF | C51 H62 N3 Ni | P 1 21/n 1 | 12.2859; 20.3988; 17.3454 90; 99.232; 90 | 4290.8 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514838 | CIF | C59 H78 Cl4 N3 Ni | P 1 21/c 1 | 21.2763; 10.7269; 24.4104 90; 97.053; 90 | 5529 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514839 | CIF | C87 H84 B F24 N3 Ni O | P 1 21/n 1 | 12.9077; 34.624; 19.65 90; 107.756; 90 | 8363.6 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514840 | CIF | C197 H204 B2 F48 N6 Ni2 O4 | P -1 | 14.7621; 16.7885; 21.465 102.291; 106.901; 105.812 | 4644.3 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514841 | CIF | C93 H96 B F24 N3 Ni O | P 1 21/c 1 | 12.7476; 20.1891; 33.921 90; 90.696; 90 | 8729.4 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514842 | CIF | C30 H27 B F15 O2 P S | P 1 21/c 1 | 9.4942; 29.0008; 11.5368 90; 90.018; 90 | 3176.5 | Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard Reactions of phosphorus/boron frustrated Lewis pairs with SO2 Chemical Science, 2013, 4, 213 |
1514843 | CIF | C33 H28 B F10 O2 P S | P -1 | 13.2898; 13.3521; 22.579 73.392; 73.073; 83.328 | 3670.7 | Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard Reactions of phosphorus/boron frustrated Lewis pairs with SO2 Chemical Science, 2013, 4, 213 |
1514844 | CIF | C36 H32 B F10 O2 P S | P -1 | 10.5993; 11.865; 14.4165 92.7; 95.322; 111.03 | 1678.66 | Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard Reactions of phosphorus/boron frustrated Lewis pairs with SO2 Chemical Science, 2013, 4, 213 |
1514845 | CIF | C76 H162 Cu6 N12 O88.66 V30 | P 31 2 1 | 20.411; 20.411; 40.34 90; 90; 120 | 14554 | Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters Chemical Science, 2013, 4, 418 |
1514846 | CIF | C10 H30 N2 O12 S5 V | P -1 | 9.4145; 11.119; 13.183 67.27; 77.71; 89.25 | 1240 | Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters Chemical Science, 2013, 4, 418 |
1514849 | CIF | C24.5 H33 Cl N4 O8 Pd2 S2 | P 21 21 21 | 8.4525; 15.486; 46.184 90; 90; 90 | 6045.3 | Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C. Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives Chemical Science, 2013, 4, 175 |
1514850 | CIF | C19 H24 N2 O6 S | P 21 21 21 | 9.8306; 17.0929; 24.3215 90; 90; 90 | 4086.8 | Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C. Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives Chemical Science, 2013, 4, 175 |
1514851 | CIF | C106 H115 Cl N8 O11 | P -1 | 13.258; 20.3837; 26.4826 85.599; 81.344; 81.232 | 6982 | Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel Lanthanide appended rotaxanes respond to changing chloride concentration Chemical Science, 2013, 4, 489 |
1514852 | CIF | C70 H126 Lu4 N16 Na4 O43 | P 1 2/c 1 | 18.0616; 14.969; 18.2262 90; 108.69; 90 | 4667.84 | Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel Lanthanide appended rotaxanes respond to changing chloride concentration Chemical Science, 2013, 4, 489 |
1514853 | CIF | C26 H16 O5 S8 | P -1 | 6.06; 12.255; 19.535 79.509; 81.926; 76.549 | 1380.07 | Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Duarte, M. Teresa; Veciana, Jaume; Rovira, Concepció Intramolecular electron transfer in the photodimerisation product of a tetrathiafulvalene derivative in solution and on a surface Chemical Science, 2013, 4, 307 |
1514934 | CIF | C28 H24 | P 32 | 29.9106; 29.9106; 5.9714 90; 90; 120 | 4626.55 | Tseng, Nai-Wen; Liu, Jianzhao; Ng, Jason C. Y.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong Deciphering mechanism of aggregation-induced emission (AIE): Is E‒Z isomerisation involved in an AIE process? Chemical Science, 2012, 3, 493 |
1514935 | CIF | C13 H14 Fe N5 O | P -1 | 8.24; 9.982; 16.64 82.977; 83.088; 73.325 | 1296 | Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C. A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems Chemical Science, 2012, 3, 364 |
1514936 | CIF | C13 H14 Co N5 O | P 1 21/n 1 | 10.445; 11.723; 11.03 90; 100.177; 90 | 1329.3 | Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C. A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems Chemical Science, 2012, 3, 364 |
1514937 | CIF | C68 H63 Fe3 N9 | P -1 | 11.805; 12.98; 19.363 73.794; 86.132; 75.907 | 2763.3 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
1514938 | CIF | C68 H63 Fe3 N9 | P -1 | 11.839; 13.026; 19.436 73.818; 86.197; 75.893 | 2791.8 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
1514939 | CIF | C68 H63 Fe3 N9 | P -1 | 11.8394; 13.037; 19.508 73.852; 86.214; 75.811 | 2804 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
1514940 | CIF | C68 H63 Fe3 N9 | P -1 | 11.888; 13.106; 19.649 73.904; 86.251; 75.708 | 2850.3 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
1514941 | CIF | C68 H63 Fe3 N9 | P -1 | 11.881; 13.093; 19.706 73.971; 86.265; 75.654 | 2854.4 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
1514942 | CIF | C60 H74 Fe3 N6 O4.75 | C 1 2/c 1 | 21.1077; 15.5695; 33.842 90; 98.773; 90 | 10991.6 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
1514943 | CIF | C65 H69 Fe3 N6 P3 | P 1 21/c 1 | 12.403; 20.06; 22.036 90; 90; 90 | 5483 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
1514944 | CIF | C26 H25 F3 N2 O4 | P 21 21 21 | 8.6711; 9.4306; 29.5986 90; 90; 90 | 2420.39 | Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science, 2012, 3, 537 |
1514945 | CIF | C31 H30 F3 N O6 S | P 1 21/c 1 | 11.9727; 24.2406; 10.481 90; 107.399; 90 | 2902.67 | Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science, 2012, 3, 537 |
1514946 | CIF | C27 H27 F3 N2 O4 | P 1 21 1 | 10.8509; 9.3445; 12.7734 90; 107.297; 90 | 1236.6 | Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science, 2012, 3, 537 |
1514947 | CIF | C32 H29 N O4 S | P 21 21 21 | 9.3165; 14.3322; 19.705 90; 90; 90 | 2631.13 | Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science, 2012, 3, 537 |
1514948 | CIF | C44 H40 N4 Si | C 1 2/c 1 | 30.7917; 10.2374; 11.7082 90; 90.481; 90 | 3690.61 | Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science, 2012, 3, 549 |
1514949 | CIF | C32 H26 O2 Si | P b c a | 21.7477; 13.4689; 35.5044 90; 90; 90 | 10399.9 | Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science, 2012, 3, 549 |
1514950 | CIF | C54 H44 N2 Si | P 1 21/c 1 | 20.3587; 11.0369; 18.2729 90; 93.111; 90 | 4099.8 | Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science, 2012, 3, 549 |
1514951 | CIF | C28 H42 F6 N O6 P | C 1 c 1 | 13.4798; 24.491; 11.104 90; 122.469; 90 | 3092.8 | Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science, 2012, 3, 425 |
1514952 | CIF | C29 H44 F6 N O6 P | P 1 21/c 1 | 13.7552; 13.8563; 16.5085 90; 96.093; 90 | 3128.7 | Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science, 2012, 3, 425 |
1514953 | CIF | C30 H46 F6 N O6 P | P 1 21/c 1 | 8.538; 33.09; 11.751 90; 97.9; 90 | 3288 | Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science, 2012, 3, 425 |
1514954 | CIF | C30 H46 F6 N O7 P | P 1 21/c 1 | 8.702; 32.962; 11.4583 90; 93.616; 90 | 3280.1 | Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science, 2012, 3, 425 |
1514955 | CIF | C29 H46 F6 N O6 P | P 1 21/c 1 | 15.9763; 13.6353; 15.3457 90; 104.633; 90 | 3234.5 | Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science, 2012, 3, 425 |
1514956 | CIF | C30 H48 F6 N O7 P | P 1 21 1 | 8.3591; 33.576; 12.1989 90; 99.083; 90 | 3380.9 | Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science, 2012, 3, 425 |
1514957 | CIF | C33 H16 O S4 | P -1 | 11.03; 12.159; 12.875 112.013; 104.449; 96.026 | 1511.8 | Isla, Helena; Grimm, Bruno; Pérez, Emilio M.; Rosario Torres, M.; Ángeles Herranz, M.; Viruela, Rafael; Aragó, Juan; Ortí, Enrique; M. Guldi, Dirk; Martín, Nazario Bowl-shape electron donors with absorptions in the visible range of the solar spectrum and their supramolecular assemblies with C60 Chemical Science, 2012, 3, 498 |
1514958 | CIF | C48 H46 Br2 N4 O2 | I 41/a c d :2 | 23.2637; 23.2637; 62.003 90; 90; 90 | 33556 | Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi Synthesis and oxidation of cyclic tetraindole Chemical Science, 2012, 3, 524 |
1514959 | CIF | C54 H52 N4 O2 | I -4 c 2 | 17.198; 17.198; 15.807 90; 90; 90 | 4675 | Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi Synthesis and oxidation of cyclic tetraindole Chemical Science, 2012, 3, 524 |
1514960 | CIF | C26 H30 B2 F8 Fe N10 O2 | I 41/a :2 | 13.7494; 13.7494; 35.336 90; 90; 90 | 6680.1 | Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science, 2012, 3, 349 |
1514961 | CIF | C26 H26 B2 F8 Fe N10 | P 42/n :2 | 9.7481; 9.7481; 17.6848 90; 90; 90 | 1680.51 | Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science, 2012, 3, 349 |
1514962 | CIF | C26 H26 B2 F8 Fe N10 | P 42/n :2 | 9.8046; 9.8046; 17.8869 90; 90; 90 | 1719.47 | Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science, 2012, 3, 349 |
1514963 | CIF | C14 H17 N5 O | P 21 21 21 | 10.064; 11.6546; 12.3944 90; 90; 90 | 1453.76 | Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science, 2012, 3, 349 |
1514964 | CIF | C13 H12 B F2 N3 | P -1 | 7.4169; 8.3781; 11.0339 70.296; 73.131; 71.441 | 598.943 | Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes Chemical Science, 2012, 3, 610 |
1514965 | CIF | C13 H9 B F2 N4 | P 1 21/c 1 | 12.6822; 6.9729; 13.8314 90; 95.138; 90 | 1218.2 | Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes Chemical Science, 2012, 3, 610 |
1514966 | CIF | C14 H12 B F2 N3 O | P 1 21/c 1 | 13.589; 11.4482; 8.7135 90; 105.519; 90 | 1306.1 | Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes Chemical Science, 2012, 3, 610 |
1514967 | CIF | C15 H14 B F2 N3 O2 | P 1 21/c 1 | 14.589; 11.456; 8.6272 90; 90.271; 90 | 1441.9 | Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes Chemical Science, 2012, 3, 610 |
1514968 | CIF | C17 H11 B F2 N4 | P -1 | 7.7978; 8.4159; 25.529 91.862; 95.446; 117.248 | 1477.3 | Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes Chemical Science, 2012, 3, 610 |
1514969 | CIF | C56 H48 Ag2 F12 N12 O4 P2 | P 1 2/c 1 | 14.883; 11.843; 19.893 90; 118.38; 90 | 3085 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
1514970 | CIF | C56 H48 Ag2 B Cl F4 N12 O4 | P 6 2 2 | 22.2009; 22.2009; 12.58554 90; 90; 120 | 5372.09 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
1514971 | CIF | C90 H84 Ag3 B3 F12 N18 O6 | P 63 | 17.3366; 17.3366; 18.9739 90; 90; 120 | 4938.73 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
1514972 | CIF | C90 H84 Ag3 B3 F12 N18 O6 | P 63 | 17.3399; 17.3399; 18.6738 90; 90; 120 | 4862.47 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
1514973 | CIF | C90 H84 Ag3 N18 O6 | P 63 | 17.2761; 17.2761; 18.7097 90; 90; 120 | 4836.03 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
1514974 | CIF | C90 H84 Au3 B3 F12 N18 O6 | P 63 | 17.4164; 17.4164; 18.8187 90; 90; 120 | 4943.53 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
1514975 | CIF | C71 H93 Ag3 Cl4 F12 N18 O8 P2 | P 1 | 12.6553; 13.0092; 15.1663 104.239; 112.9; 99.765 | 2128.75 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
1514976 | CIF | C16 H20 N2 O6 | P 21 21 21 | 7.95486; 10.00542; 20.80472 90; 90; 90 | 1655.88 | Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science, 2012, 3, 584 |
1514977 | CIF | C18 H24 N2 O7 | P 21 21 21 | 5.5811; 12.5943; 26.723 90; 90; 90 | 1878.4 | Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science, 2012, 3, 584 |
1514978 | CIF | C17 H22 N2 O6 | P 1 21 1 | 10.1928; 6.6518; 12.7044 90; 93.098; 90 | 860.11 | Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science, 2012, 3, 584 |
1514979 | CIF | C18 H24 N2 O7 | P 1 21/c 1 | 12.8847; 5.6274; 25.767 90; 92.776; 90 | 1866.1 | Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science, 2012, 3, 584 |
1514980 | CIF | C31 H28 Fe O6 Pt S4 | P 1 21/n 1 | 14.6379; 11.5625; 18.7162 90; 96.152; 90 | 3149.5 | Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science, 2012, 3, 602 |
1514981 | CIF | C47 H60 Co O9.75 Pt S4 | I 1 2/a 1 | 22.814; 16.6711; 23.2989 90; 92.135; 90 | 8855.2 | Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science, 2012, 3, 602 |
1514982 | CIF | C28 H22 Co O5 Pt S4 | P 1 c 1 | 11.3784; 11.822; 22.0722 90; 90.429; 90 | 2969 | Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science, 2012, 3, 602 |
1514983 | CIF | C32.35 H29.7 Ni O6.09 Pt S4 | I -4 c 2 | 19.0697; 19.0697; 22.6005 90; 90; 90 | 8218.7 | Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science, 2012, 3, 602 |
1514984 | CIF | C35 H41 B O7 | P -1 | 8.0671; 12.5459; 15.4229 83.045; 83.617; 81.899 | 1526.94 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
1514985 | CIF | C28 H35 N O7 Si | P 1 21 1 | 11.4194; 10.9563; 12.2162 90; 104.877; 90 | 1477.19 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
1514986 | CIF | C28 H35 N O7 Si | P 21 21 21 | 10.6948; 14.0253; 18.4358 90; 90; 90 | 2765.33 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
1514987 | CIF | C28 H36 O6 Si2 | P -1 | 10.3358; 10.7754; 13.7612 103.096; 100.398; 91.195 | 1465.19 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
1514988 | CIF | C29 H37 N O8 Si | P 21 21 21 | 10.1179; 13.7992; 21.5342 90; 90; 90 | 3006.58 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
1514989 | CIF | C38 H47 B O8 Sn | P -1 | 10.8449; 13.7385; 14.5994 78.148; 75.225; 70.556 | 1965.93 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
1514990 | CIF | C35 H39 B O8 | P 1 21/c 1 | 10.2127; 10.942; 28.6657 90; 98.392; 90 | 3169.02 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
1514991 | CIF | C37 H57 Ni P3 Si | P b c a | 16.1008; 16.9634; 25.931 90; 90; 90 | 7082.4 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
1514992 | CIF | C77.75 H75.75 B F24 N2 Ni P3 Si | C 1 2/c 1 | 47.534; 13.9003; 30.423 90; 128.63; 90 | 15703 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
1514993 | CIF | C70 H69 B F24 N Ni P3 Si | P 1 21/c 1 | 12.8286; 14.9103; 38.095 90; 96.779; 90 | 7235.8 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
1514994 | CIF | C69 H66 B Cl F24 Ni O P3 Si | P b c a | 26.3375; 19.5435; 27.2078 90; 90; 90 | 14004.6 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
1514995 | CIF | C36 H55 Cl Ni P3 Si | P -1 | 10.9905; 11.1304; 16.8144 78.237; 79.052; 61.648 | 1761.8 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
1514996 | CIF | C86 H54 B F24 N2 Ni P3 Si | P -1 | 13.2952; 15.4595; 20.2687 74.996; 84.981; 83.775 | 3992.6 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
1514997 | CIF | C87 H54 B F24 Ni O P3 Si | P -1 | 13.2892; 15.457; 20.2883 74.851; 85.107; 83.842 | 3992.3 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
1514998 | CIF | C37 H32 Cl2 N2 | C 1 2/c 1 | 28.982; 11.074; 9.7067 90; 101.66; 90 | 3051 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
1514999 | CIF | C41 H35 Cl2 N2 | C 1 2/c 1 | 32.92; 11.005; 9.624 90; 106.563; 90 | 3342 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
1515000 | CIF | C20 H14 N2 | P 1 21/n 1 | 10.7874; 6.1038; 11.5494 90; 104.177; 90 | 737.3 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
1515001 | CIF | C32 H32 N4 O6 | P -1 | 6.2483; 7.152; 16.741 101.417; 91.557; 92.041 | 732.4 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
1515002 | CIF | C24 H18 N2 | P 1 21/n 1 | 12.5981; 6.0734; 13.4724 90; 117.737; 90 | 912.37 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
1515003 | CIF | C29 H23 Cl2 N2 | C 1 2/c 1 | 22.398; 11.1946; 9.7652 90; 95.645; 90 | 2436.6 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
1515004 | CIF | C33 H28 Cl2 N2 | C 1 2/c 1 | 25.388; 11.126; 9.788 90; 94.187; 90 | 2757 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
1515005 | CIF | C44 H42 Cl3 N7 O7 | P 1 21/c 1 | 9.5229; 39.529; 11.6647 90; 98.282; 90 | 4345.2 | Engle, Jeffrey M.; Carroll, Calden N.; Johnson, Darren W.; Haley, Michael M. Synthesis and optoelectronic properties of 2,6-bis(2-anilinoethynyl)pyridine scaffolds Chemical Science, 2012, 3, 1105 |
1515006 | CIF | C72 H102 Nb2 O6 P4 | P 1 21/c 1 | 18.9443; 21.565; 17.9908 90; 99.909; 90 | 7240.2 | Velian, Alexandra; Cummins, Christopher C. Synthesis of a diniobium tetraphosphorus complex by a 2(3−1) process Chemical Science, 2012, 3, 1003 |
1515007 | CIF | C46 H78 Co3 I4 N4 O5 | P 1 21/c 1 | 11.79263; 21.62584; 22.16086 90; 102.592; 90 | 5515.64 | Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245 |
1515008 | CIF | C46 H78 Br4 Co3 N4 O5 | P 1 21/c 1 | 11.69346; 20.8757; 22.0206 90; 102.034; 90 | 5257.3 | Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245 |
1515009 | CIF | C75.5 H123 Cl20 Co4 K N8 O4 | P n m a | 23.2374; 30.6555; 14.1318 90; 90; 90 | 10066.8 | Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245 |
1515010 | CIF | C76 H124 Cl21 Co4 K N8 O4 | P 1 21/c 1 | 11.78965; 31.1301; 27.4398 90; 96.1289; 90 | 10013.2 | Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245 |
1515011 | CIF | C42 H74 Cl7 Co2 N5 O2 | P 1 21/n 1 | 14.4425; 21.581; 16.8129 90; 105.087; 90 | 5059.69 | Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245 |
1515012 | CIF | C50 H86 Cl3 Co2 N6 O3 | P -1 | 12.4636; 15.6121; 15.8197 69.978; 71.369; 85.244 | 2739.42 | Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245 |
1515013 | CIF | C42 H70 Cl3 Co2 N7 O2 | P 1 21/n 1 | 15.09; 20.2875; 15.702 90; 104.082; 90 | 4662.54 | Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245 |
1515014 | CIF | C46 H76 Cl2 Co2 N6 O4 | P -1 | 11.3806; 13.8405; 15.7508 96.278; 96.347; 91.87 | 2448.45 | Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245 |
1515015 | CIF | C45.5 H73 Cl11 Co2 N6 O2 | C 1 2/c 1 | 35.3728; 20.4934; 19.9836 90; 124.046; 90 | 12003.2 | Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245 |
1515016 | CIF | C24 H28 Cl8 I4 N8 O8 | P 42/n m c :2 | 18.1726; 18.1726; 7.0372 90; 90; 90 | 2323.99 | Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235 |
1515017 | CIF | C23 H29 Cl3 I4 N8 O8 | C 1 2/c 1 | 26.3584; 7.034; 21.0654 90; 109.216; 90 | 3688.03 | Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235 |
1515018 | CIF | C26 H36 Cl8 I4 N8 O8 | P 43 21 2 | 17.2587; 17.2587; 15.5855 90; 90; 90 | 4642.34 | Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235 |
1515019 | CIF | C26 H40 I4 N12 O16 | I -4 c 2 | 16.8566; 16.8566; 14.5819 90; 90; 90 | 4143.37 | Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235 |
1515020 | CIF | C29 H36 I4 N8 O8 | C 1 2/c 1 | 26.0769; 7.0625; 20.9842 90; 108.622; 90 | 3662.29 | Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235 |
1515022 | CIF | C90 H77 N12 O7 U3 | P 1 21/n 1 | 16.7294; 16.6323; 29.5917 90; 90.954; 90 | 8232.7 | Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl Chemical Science, 2012, 3, 1075 |
1515023 | CIF | C29 H23 Cl3 N4 O2 U | P -1 | 7.2599; 12.1368; 16.1046 99.775; 90.893; 95.133 | 1392.11 | Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl Chemical Science, 2012, 3, 1075 |
1515024 | CIF | C57.5 H44.25 N8.75 O5 U2 | C 1 2/c 1 | 27.1234; 27.366; 28.2322 90; 90.531; 90 | 20954.7 | Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl Chemical Science, 2012, 3, 1075 |
1515025 | CIF | C52 H66 Cl2 Hg N O Sb | P 1 21/n 1 | 11.172; 34.082; 12.621 90; 99.244; 90 | 4743 | Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science, 2012, 3, 1128 |
1515026 | CIF | C57 H60 F6 Hg N6 O P Sb | C 1 c 1 | 18.171; 28.753; 13.422 90; 130.397; 90 | 5341 | Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science, 2012, 3, 1128 |
1515027 | CIF | C68 H52 F2 Hg2 O Sb2 | P -1 | 12.689; 13.651; 16.06 97.184; 95.058; 102.804 | 2672 | Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science, 2012, 3, 1128 |
1515028 | CIF | C38 H34 F6 Hg O1.5 P Sb | P 1 21/c 1 | 13.2206; 21.054; 13.5998 90; 118.154; 90 | 3337.6 | Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science, 2012, 3, 1128 |
1515029 | CIF | C18 H29 I N4 O Pd S2 | P -1 | 11.0114; 14.456; 15.04 86.364; 88.837; 84.021 | 2376 | Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen “Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes Chemical Science, 2012, 3, 1211 |
1515030 | CIF | C28 H33 N5 Pd S3 | P -1 | 9.4934; 12.8359; 12.9362 85.96; 70.27; 84.36 | 1475.5 | Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen “Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes Chemical Science, 2012, 3, 1211 |
1515031 | CIF | C88 H178 Cu5 Ga30 N23 S54 | P -1 | 22.414; 23.022; 23.782 95.8178; 116.725; 114.544 | 9322 | Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science, 2012, 3, 1200 |
1515032 | CIF | C97.5 H192 Cl Cu5 Ga30 N24 S53.5 | P -1 | 22.168; 22.846; 24.663 115.174; 111.389; 96.407 | 9985 | Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science, 2012, 3, 1200 |
1515033 | CIF | C108 H210 Cl2 Cu5 In30 N25 S54 | C 1 2/c 1 | 23.617; 40.808; 46.252 90; 94.748; 90 | 44423 | Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science, 2012, 3, 1200 |
1515034 | CIF | C90 H186 Cu5 Ga30 N23 S56 | P 63/m | 23.018; 23.018; 42.321 90; 90; 120 | 19419 | Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science, 2012, 3, 1200 |
1515035 | CIF | C42 H46 Fe N2 O9 | P 1 21/c 1 | 13.831; 16.175; 18.572 90; 111.6; 90 | 3863 | Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science, 2012, 3, 1080 |
1515036 | CIF | C74 H84 Cl Fe N5 O17 | P -1 | 11.106; 17.783; 19.841 95.61; 100.94; 106.08 | 3649.6 | Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science, 2012, 3, 1080 |
1515037 | CIF | C152 H172 Cl14 Fe2 N10 O34 | P -1 | 15.7014; 18.6485; 28.3126 98.202; 99.703; 102.308 | 7845.3 | Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science, 2012, 3, 1080 |
1515038 | CIF | C76 H92 Cl Fe N5 O17 S2 | P 1 21/c 1 | 14.26; 39.5; 14.26 90; 95.55; 90 | 7994.6 | Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science, 2012, 3, 1080 |
1515039 | CIF | C93 H117 F6 N7 O8 Pt2 S2 | P -1 | 19.5557; 20.1957; 30.683 99.204; 101.673; 95.081 | 11622.6 | Tanaka, Yuya; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian Phosphorescent molecular tweezers based on alkynylplatinum(ii) terpyridine system: turning on of NIR emission via heterologous Pt⋯M interactions (M = PtII, PdII, AuIII and AuI) Chemical Science, 2012, 3, 1185 |
1515040 | CIF | C69 H93 Cu2 Dy6 N11 O54 | P 1 21 1 | 11.2309; 23.8183; 20.3932 90; 102.308; 90 | 5329.8 | Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science, 2012, 3, 1169 |
1515041 | CIF | C69 H93 Cu2 Gd6 N11 O54 | P 1 21 1 | 11.3478; 24.0164; 20.6607 90; 102.06; 90 | 5506.5 | Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science, 2012, 3, 1169 |
1515042 | CIF | C69 H93 Cu2 Dy6 N11 O54 | P 1 21 1 | 11.259; 24.017; 20.506 90; 101.793; 90 | 5428 | Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science, 2012, 3, 1169 |
1515043 | CIF | C69 H93 Cu2 N11 O54 Y6 | P 1 21 1 | 11.36; 24; 20.66 90; 101.988; 90 | 5509.9 | Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science, 2012, 3, 1169 |
1515044 | CIF | C29 H26 Cl N3 O5 | P 21 21 21 | 9.5107; 10.1897; 27.7823 90; 90; 90 | 2692.4 | Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles Chemical Science, 2012, 3, 1231 |
1515045 | CIF | C21 H21 Br N2 O4 | C 1 2 1 | 21.316; 6.3205; 17.4926 90; 112.859; 90 | 2171.6 | Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles Chemical Science, 2012, 3, 1231 |
1515046 | CIF | C50 H28 Cr Dy2 F38 N5 O16 | C 1 2/c 1 | 26.3208; 15.7874; 18.718 90; 115.474; 90 | 7021.8 | Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster Chemical Science, 2012, 3, 1024 |
1515047 | CIF | C40 H24 Cr Dy F26 N4 O8 | P -1 | 12.515; 19.836; 21.392 85.52; 81.35; 86.229 | 5226 | Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster Chemical Science, 2012, 3, 1024 |
1515048 | CIF | C348 H354 Cl6 Co24 N6 O72 S24 | I a -3 | 48.8463; 48.8463; 48.8463 90; 90; 90 | 116545 | Xiong, Kecai; Jiang, Feilong; Gai, Yanli; Yuan, Daqiang; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Hong, Maochun Truncated octahedral coordination cage incorporating six tetranuclear-metal building blocks and twelve linear edges Chemical Science, 2012, 3, 2321 |
1515049 | CIF | C74 H106 N4 O3 Y2 | P -1 | 12.5958; 15.8; 20.902 76.137; 76.659; 83.229 | 3921 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
1515050 | CIF | C81 H114 Lu2 N4 O3 | P -1 | 13.2117; 14.827; 23.057 81.78; 73.628; 66.103 | 3959.9 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
1515051 | CIF | C81 H123 N4 O4.5 Si Y2 | P 1 21/n 1 | 13.0663; 38.724; 15.781 90; 93.796; 90 | 7967 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
1515052 | CIF | C83 H115 N5 O3 Y2 | P 1 21/c 1 | 11.898; 23.121; 35.564 90; 90.028; 90 | 9783 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
1515053 | CIF | C88 H116 Lu2 N4 O3 | P -1 | 13.437; 14.939; 22.326 107.399; 102.549; 100.158 | 4031.9 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
1515054 | CIF | C84 H108 Lu2 N4 O2 | P -1 | 12.53; 16.733; 22.194 107.824; 103.291; 91.97 | 4284 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
1515055 | CIF | C80 H100 Lu2 N4 O | P -1 | 15.161; 17.449; 18.27 76.958; 76.864; 70.969 | 4388.8 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
1515056 | CIF | C86 H108 N4 O2 Y2 | P -1 | 13.731; 15.277; 22.821 97.855; 98.334; 99.894 | 4601.6 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
1515057 | CIF | C159 H0 Co5 O25 | P 1 21 1 | 19.3772; 34.3744; 20.7308 90; 115.432; 90 | 12470.3 | Wen, Liang; Cheng, Peng; Lin, Wenbin Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities Chemical Science, 2012, 3, 2288 |
1515058 | CIF | C159 H O24 Zn4 | P 1 21 1 | 20.6536; 33.4974; 20.7926 90; 118.619; 90 | 12627.7 | Wen, Liang; Cheng, Peng; Lin, Wenbin Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities Chemical Science, 2012, 3, 2288 |
1515059 | CIF | C10 H18 N2 O4 S | P 1 21/c 1 | 10.5431; 9.835; 12.1245 90; 92.891; 90 | 1255.6 | Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science, 2012, 3, 2375 |
1515060 | CIF | C19 H32 N2 O6 S | P 1 21/c 1 | 10.1825; 21.4793; 20.4614 90; 103.9; 90 | 4344.1 | Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science, 2012, 3, 2375 |
1515061 | CIF | C15 H20 N2 O4 S | P 1 21/n 1 | 5.8032; 20.518; 12.8411 90; 97.101; 90 | 1517.3 | Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science, 2012, 3, 2375 |
1515062 | CIF | C26 H26 N2 O4 S | P 1 21/c 1 | 6.5173; 21.874; 15.6036 90; 90.991; 90 | 2224.1 | Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science, 2012, 3, 2375 |
1515063 | CIF | C13 H22 N2 O4 S | P 1 21/c 1 | 13.355; 10.423; 11.32 90; 107.797; 90 | 1500.3 | Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science, 2012, 3, 2375 |
1515064 | CIF | C101.5 H146.5 O96 Pb14 | P 21 21 21 | 15.6077; 24.196; 38.766 90; 90; 90 | 14640 | Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties Chemical Science, 2012, 3, 2282 |
1515065 | CIF | C96 H128 O89 Pb16 | P 1 21 1 | 20.126; 18.866; 22.188 90; 94.783; 90 | 8395 | Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties Chemical Science, 2012, 3, 2282 |
1515066 | CIF | C22 H30 N4 O8 | P 1 21/c 1 | 9.58; 16.55; 7.69 90; 112.13; 90 | 1129.4 | Johnston, Priscilla; Braybrook, Carl; Saito, Kei Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization Chemical Science, 2012, 3, 2301 |
1515067 | CIF | C24 H36 N4 O9 | C 1 2/c 1 | 22.4706; 9.36; 16.0501 90; 131.959; 90 | 2510.3 | Johnston, Priscilla; Braybrook, Carl; Saito, Kei Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization Chemical Science, 2012, 3, 2301 |
1515068 | CIF | C20 H30 N6 O7 | P 42/n :2 | 22.26; 22.26; 4.77 90; 90; 90 | 2363.6 | Johnston, Priscilla; Braybrook, Carl; Saito, Kei Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization Chemical Science, 2012, 3, 2301 |
1515069 | CIF | C84 H94 O12 | P 21 21 21 | 9.824; 20.306; 36.358 90; 90; 90 | 7253 | Ishii, Yuuki; Nakanishi, Yusuke; Omachi, Haruka; Matsuura, Sanae; Matsui, Katsuma; Shinohara, Hisanori; Segawa, Yasutomo; Itami, Kenichiro Size-selective synthesis of [9]‒[11] and [13]cycloparaphenylenes Chemical Science, 2012, 3, 2340 |
1515070 | CIF | C35.5 H31 Co N3 O9.5 | P 1 21/c 1 | 12.565; 29.618; 9.858 90; 105.695; 90 | 3531.9 | Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework Chemical Science, 2012, 3, 2993 |
1515071 | CIF | C72 H66 Co2 N10 O18 | P -1 | 10.09; 16.362; 24.453 106.75; 92.97; 103.16 | 3734.2 | Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework Chemical Science, 2012, 3, 2993 |
1515072 | CIF | C28 H26 O4 | P 1 21/n 1 | 13.83; 8.0116; 21.166 90; 104.203; 90 | 2273.5 | Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions Chemical Science, 2012, 3, 3053 |
1515073 | CIF | C22 H25 N3 O7 | C 1 c 1 | 15.778; 16.681; 8.324 90; 95.55; 90 | 2180.5 | Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions Chemical Science, 2012, 3, 3053 |
1515074 | CIF | C48 H32 | P 1 21/n 1 | 12.9325; 8.0103; 19.3676 90; 105.363; 90 | 1934.66 | Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP Chemical Science, 2012, 3, 3018 |
1515075 | CIF | C60 H40 | P 1 21/c 1 | 15.9075; 8.1405; 20.7418 90; 108.655; 90 | 2544.84 | Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP Chemical Science, 2012, 3, 3018 |
1515076 | CIF | C120 H40 | P -1 | 12.8737; 19.0556; 27.2224 69.54; 79.038; 79.051 | 6087.1 | Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP Chemical Science, 2012, 3, 3018 |
1515077 | CIF | C81 H28 Cu2 O18 | P b a n :2 | 28.532; 33.426; 16.0881 90; 90; 90 | 15343 | Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities Chemical Science, 2012, 3, 3032 |
1515078 | CIF | C34.71 H20 O8 Zn1.71 | I -4 2 d | 36.3615; 36.3615; 34.7679 90; 90; 90 | 45968.7 | Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities Chemical Science, 2012, 3, 3032 |
1515079 | CIF | C42 H74 I2 Mn2 O2 | P -1 | 9.232; 9.9138; 13.3547 105.125; 102.783; 100.418 | 1113.14 | Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D. Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis Chemical Science, 2012, 3, 2972 |
1515080 | CIF | C78 H146 Mn5 | C 1 2/c 1 | 27.5131; 12.7588; 25.2896 90; 114.339; 90 | 8088.5 | Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D. Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis Chemical Science, 2012, 3, 2972 |
1515081 | CIF | C78 H146 Mn5 | C 1 2/c 1 | 27.484; 12.7411; 25.273 90; 114.331; 90 | 8064 | Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D. Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis Chemical Science, 2012, 3, 2972 |
1515082 | CIF | C26.5 H22 Cl3 N O3 | P 1 21 1 | 10.149; 11.5785; 19.7361 90; 93.295; 90 | 2315.36 | Gómez-Bengoa, Enrique; Jiménez, Jacqueline; Lapuerta, Irati; Mielgo, Antonia; Oiarbide, Mikel; Otazo, Itziar; Velilla, Irene; Vera, Silvia; Palomo, Claudio Combined α,α-dialkylprolinol ether/Brønsted acid promotes Mannich reactions of aldehydes with unactivated imines. An entry to anti-configured propargylic amino alcohols Chemical Science, 2012, 3, 2949 |
1515083 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.8946; 5.9692; 10.8812 90; 92.454; 90 | 512.3 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
1515084 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.8401; 5.9549; 10.8935 90; 92.556; 90 | 508.08 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
1515085 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.7899; 5.9402; 10.9075 90; 92.67; 90 | 504.18 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
1515086 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.7378; 5.9245; 10.9232 90; 92.821; 90 | 500.14 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
1515087 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.6885; 5.9097; 10.9351 90; 92.984; 90 | 496.18 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
1515088 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.8926; 5.9767; 10.8739 90; 92.47; 90 | 512.46 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
1515089 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.433; 5.8092; 10.9101 90; 93.736; 90 | 470.09 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
1515090 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.2027; 5.6926; 10.9057 90; 94.504; 90 | 445.78 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
1515091 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.0544; 5.6024; 10.8873 90; 95.062; 90 | 428.61 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
1515092 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 6.992; 5.559; 10.875 90; 95.344; 90 | 420.86 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
1515093 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 6.9259; 5.5072; 10.8549 90; 95.667; 90 | 412.01 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
1515094 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 6.871; 5.467; 10.8393 90; 95.878; 90 | 405.02 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
1515095 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 6.828; 5.4298; 10.8209 90; 96.076; 90 | 398.93 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
1515096 | CIF | C69 H54 Ag F9 N8 O9 S3 | P 1 21/c 1 | 17.533; 20.0767; 21.7131 90; 96.387; 90 | 7595.7 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
1515097 | CIF | C136 H104 Ag4 F12 N16 O12 S4 | P 1 2/n 1 | 17.1508; 16.7972; 24.955 90; 106.286; 90 | 6900.7 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
1515098 | CIF | C132 H104 Ag4 F24 N16 P4 | P -1 | 14.122; 17.707; 32.571 93.111; 97.694; 109.952 | 7543 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
1515099 | CIF | C68 H52 F6 N8 O6 Pt S2 | P 1 21/c 1 | 28.295; 8.808; 29.743 90; 97.637; 90 | 7346.9 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
1515100 | CIF | C72 H64 F6 N8 O8 Ru S4 | P 1 21/n 1 | 12.306; 18.427; 16.292 90; 100.907; 90 | 3627.7 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
1515101 | CIF | C69 H54 Cl2 Co F6 N8 O6 S2 | P 1 21/n 1 | 16.995; 13.564; 27.388 90; 93.097; 90 | 6304 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
1515102 | CIF | C70 H58 Cl2 Cr F6 N10 P | P 1 21 1 | 12.1931; 13.7529; 18.886 90; 91.471; 90 | 3166 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
1515103 | CIF | C68 H54 Ag3 Cl4 F3 N8 O3 S | C 1 2/c 1 | 33.096; 16.4589; 26.678 90; 120.04; 90 | 12580.1 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
1515104 | CIF | C68 H52 F6 N8 O6 Pd S2 | P 1 21/c 1 | 28.29; 8.8229; 29.69 90; 97.815; 90 | 7341.8 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
1515105 | CIF | C68 H52 F6 N8 Ni O6 S2 | P 1 21/n 1 | 17.1544; 28.6906; 29.7309 90; 104.592; 90 | 14160.7 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
1515106 | CIF | C66 H52 F6 I2 N8 P Rh | P 1 21 1 | 12.646; 13.785; 18.779 90; 90.702; 90 | 3273 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
1515107 | CIF | C69 H52 Au F9 N8 O9 S3 | P 1 21/n 1 | 18.2751; 13.6076; 27.721 90; 92.926; 90 | 6884.7 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
1515108 | CIF | C45 H35 Cl4 Co2 F18 N10 O2 P3 | P 1 21/c 1 | 13.6543; 24.252; 18.6535 90; 94.437; 90 | 6158.5 | Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S. Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution Chemical Science, 2012, 3, 3058 |
1515109 | CIF | C47 H53 Co2 F18 N14 O3 P3 | P -1 | 12.15; 13.31; 17.433 95.7; 96.001; 107.53 | 2648 | Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S. Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution Chemical Science, 2012, 3, 3058 |
1515110 | CIF | C25 H29 Br2 Cl3 N2 O2 | P 1 21/n 1 | 8.6872; 24.892; 12.6503 90; 92.44; 90 | 2733 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
1515111 | CIF | C23 H29 Br2 Cl3 N2 | P 1 2/c 1 | 18.893; 8.2648; 17.927 90; 108.099; 90 | 2660.7 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
1515112 | CIF | C22.5 H27.5 Br2 Cl4.5 N2 | P b c a | 28.784; 28.621; 13.801 90; 90; 90 | 11370 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
1515113 | CIF | C24 H28 N2 O3 | P -1 | 8.005; 8.772; 16.048 91.431; 103.924; 98.836 | 1078.5 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
1515114 | CIF | C26 H34 N2 O2 S2 | P 1 21/c 1 | 14.9337; 11.8693; 13.6108 90; 92.054; 90 | 2411 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
1515115 | CIF | C36 H38 N2 O2 S2 | P -1 | 11.0307; 12.136; 12.8498 69.777; 79.796; 85.828 | 1588.5 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
1515116 | CIF | C36 H34 N2 O4 | P 1 21/n 1 | 11.5; 17.626; 14.155 90; 91.498; 90 | 2868.2 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
1515117 | CIF | C10 H10 B2 N2 | P b c n | 19.076; 9.301; 10.997 90; 90; 90 | 1951.2 | Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair Chemical Science, 2012, 3, 825 |
1515118 | CIF | C12 H10 B N | F d d 2 | 23.388; 31.934; 5.423 90; 90; 90 | 4050 | Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair Chemical Science, 2012, 3, 825 |
1515119 | CIF | C19 H23 N7 O11 | P -1 | 9.537; 11.248; 12.439 107.701; 97.463; 104.937 | 1196.4 | Coles, Simon J.; Gale, Philip A. Changing and challenging times for service crystallography Chemical Science, 2012, 3, 683 |
1515120 | CIF | C19 H23 N7 O11 | P -1 | 9.51; 11.31; 12.46 107.583; 97.533; 104.719 | 1204 | Coles, Simon J.; Gale, Philip A. Changing and challenging times for service crystallography Chemical Science, 2012, 3, 683 |
1515121 | CIF | C19 H23 N7 O11 | P -1 | 9.525; 11.38; 12.488 107.619; 97.507; 104.894 | 1214 | Coles, Simon J.; Gale, Philip A. Changing and challenging times for service crystallography Chemical Science, 2012, 3, 683 |
1515122 | CIF | C22 H22 O4 | P 1 21/c 1 | 9.534; 19.6; 10.977 90; 110.365; 90 | 1923 | Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766 |
1515123 | CIF | C22 H29 N O4 | P 1 21/c 1 | 16.399; 7.8427; 16.851 90; 108.538; 90 | 2054.8 | Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766 |
1515124 | CIF | C14 H16 O5 | P 1 21/n 1 | 14.348; 11.622; 16.672 90; 103.442; 90 | 2703.9 | Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766 |
1515125 | CIF | C21 H29 N O4 | P 1 21/n 1 | 11.21; 16.029; 11.499 90; 102.731; 90 | 2015.4 | Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766 |
1515126 | CIF | C19 H21 N3 O4 | I b a 2 | 17.443; 21.703; 9.844 90; 90; 90 | 3726.6 | Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766 |
1515127 | CIF | C46 H63 N5 Ti | P -1 | 9.6914; 12.1082; 22.0163 80.771; 79.72; 73.3185 | 2418.67 | Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science, 2012, 3, 819 |
1515128 | CIF | C52 H69 Li3 N6 Ti | P 1 21 1 | 10.2991; 19.4178; 13.0747 90; 101.982; 90 | 2557.8 | Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science, 2012, 3, 819 |
1515129 | CIF | C57.5 H82.5 Li2 N5.5 O0.5 Ti | P n a 21 | 18.4575; 16.9731; 17.726 90; 90; 90 | 5553.22 | Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science, 2012, 3, 819 |
1515130 | CIF | C40 H46 N2 O14 Ru2 | C 1 2/c 1 | 23.769; 15.938; 13.3495 90; 102.022; 90 | 4946.3 | Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay A solvent-responsive coordination cage Chemical Science, 2012, 3, 701 |
1515131 | CIF | C259 H247 Cl69 N8 O56 Ru8 | P -1 | 16.0499; 24.504; 26.963 70.041; 77.399; 81.696 | 9699 | Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay A solvent-responsive coordination cage Chemical Science, 2012, 3, 701 |
1515132 | CIF | C122 H120 Cl8 N4 O28 Ru4 | P -1 | 12.0083; 15.379; 20.885 85.969; 78.367; 87.615 | 3766.9 | Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay A solvent-responsive coordination cage Chemical Science, 2012, 3, 701 |
1515133 | CIF | C28 H24 Au F6 N4 P | P 1 21/c 1 | 16.2749; 7.2655; 22.8836 90; 91.975; 90 | 2704.3 | Lu, Wei; Chan, Kaai Tung; Wu, Shui-Xing; Chen, Yong; Che, Chi-Ming Quest for an intermolecular Au(iii)⋯Au(iii) interaction between cyclometalated gold(iii) cations Chemical Science, 2012, 3, 752 |
1515134 | CIF | F6 Fe2 Rb | P n m a | 7.0177; 7.4499; 10.1765 90; 90; 90 | 532.04 | Kim, Sun Woo; Kim, Sang-Hwan; Halasyamani, P. Shiv; Green, Mark A.; Bhatti, Kanwal Preet; Leighton, C.; Das, Hena; Fennie, Craig J. RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride Chemical Science, 2012, 3, 741 |
1515135 | CIF | C44.1 H48.4 F12 N6 O8.1 Pd Sb2 | P -1 | 12.85; 15.422; 16.768 66.868; 88.549; 80.667 | 3012.7 | Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D. Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery Chemical Science, 2012, 3, 778 |
1515136 | CIF | C76 H56 Cl4 N16 Pd2 Pt2 | P -1 | 11.9663; 12.345; 17.495 76.455; 83.846; 85.135 | 2493.3 | Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D. Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery Chemical Science, 2012, 3, 778 |
1515138 | CIF | C24 H32 Fe | P -1 | 9.731; 11.057; 18.275 89.321; 76.443; 87.163 | 1909.2 | Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science, 2012, 3, 830 |
1515139 | CIF | C18 H16 Fe | P 1 21/c 1 | 8.2905; 11.7186; 13.8485 90; 106.91; 90 | 1287.3 | Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science, 2012, 3, 830 |
1515140 | CIF | C12 H8 D4 Fe | P b c a | 7.3925; 12.3693; 19.4209 90; 90; 90 | 1775.85 | Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science, 2012, 3, 830 |
1515141 | CIF | C12 H52 Mn2 Mo12 N8 Na2 O74 P8 Zn3 | C 1 2/c 1 | 30.829; 14.572; 24.908 90; 123.658; 90 | 9313.8 | Du, Dong-Ying; Qin, Jun-Sheng; Wang, Ting-Ting; Li, Shun-Li; Su, Zhong-Min; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Wang, En-Bo Polyoxometalate-based crystalline tubular microreactor: redox-active inorganic‒organic hybrid materials producing gold nanoparticles and catalytic properties Chemical Science, 2012, 3, 705 |
1515142 | CIF | C104.75 H113.5 Dy2 N10 O16.25 | P 1 21/n 1 | 21.5894; 20.9227; 23.8146 90; 109.321; 90 | 10151.4 | Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets Chemical Science, 2012, 3, 2158 |
1515143 | CIF | C129.5 H133.5 Dy2 N10.5 O17.5 | P -1 | 14.3544; 18.9741; 23.049 86.019; 81.988; 79.315 | 6102.5 | Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets Chemical Science, 2012, 3, 2158 |
1515144 | CIF | C144.5 H165 Dy2 N10 O19.5 | P 1 21/n 1 | 11.784; 22.87; 52.23 90; 95.811; 90 | 14004 | Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets Chemical Science, 2012, 3, 2158 |
1515145 | CIF | C28 H29 N O S | P 21 21 21 | 9.357; 13.439; 18.66 90; 90; 90 | 2346 | Yamaguchi, Kazuya; Yamaguchi, Junichiro; Studer, Armido; Itami, Kenichiro Hindered biaryls by C‒H coupling: bisoxazoline-Pd catalysis leading to enantioselective C‒H coupling Chemical Science, 2012, 3, 2165 |
1515146 | CIF | C6 H3 N4 Ni0.1 O3.25 Zn | F m -3 m | 25.838; 25.838; 25.838 90; 90; 90 | 17249.5 | Brozek, Carl K.; Dincă, Mircea Lattice-imposed geometry in metal‒organic frameworks: lacunary Zn4O clusters in MOF-5 serve as tripodal chelating ligands for Ni2+ Chemical Science, 2012, 3, 2110 |
1515147 | CIF | C21 H15 Br N2 O2 | P 21 21 21 | 8.712; 12.244; 16.51 90; 90; 90 | 1761.1 | Morrill, Louis C.; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D. Catalytic asymmetric α-amination of carboxylic acids using isothioureas Chemical Science, 2012, 3, 2088 |
1515148 | CIF | C49.9 H48.6 Cl0.2 N O3.9 S | P 1 21/c 1 | 20.1837; 9.1091; 23.0754 90; 110.794; 90 | 3966.2 | Chen, Sijie; Liu, Jianzhao; Liu, Yang; Su, Huimin; Hong, Yuning; Jim, Cathy K. W.; Kwok, Ryan T. K.; Zhao, Na; Qin, Wei; Lam, Jacky W. Y.; Wong, Kam Sing; Tang, Ben Zhong An AIE-active hemicyanine fluorogen with stimuli-responsive red/blue emission: extending the pH sensing range by “switch + knob” effect Chemical Science, 2012, 3, 1804 |
1515149 | CIF | C8 H4 Br2 O2 | C 1 2/c 1 | 17.3296; 3.8995; 13.8867 90; 114.947; 90 | 850.86 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
1515150 | CIF | C16 H8 Br2 O4 | C 1 2/c 1 | 13.2036; 7.7069; 14.7968 90; 107.154; 90 | 1438.72 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
1515151 | CIF | C32 H16 Br2 O8 | C 1 2/c 1 | 13.3084; 6.8541; 29.076 90; 93.477; 90 | 2647.35 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
1515152 | CIF | C12 H6 I2 O3 | P 1 21/c 1 | 8.6955; 11.3755; 13.3637 90; 103.355; 90 | 1286.13 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
1515153 | CIF | C20 H10 Br2 O5 | C 1 c 1 | 8.1262; 15.991; 13.825 90; 101.243; 90 | 1762 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
1515154 | CIF | C28 H14 Br2 O7 | P -1 | 7.3671; 12.397; 13.127 92.975; 93.428; 95.781 | 1188.6 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
1515155 | CIF | C24 H12 Br2 O6 | P -1 | 6.9255; 7.3969; 11.6514 72.785; 78.03; 63.603 | 508.68 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
1515156 | CIF | C24 H14 O6 | P 1 21/a 1 | 5.9382; 22.9614; 6.718 90; 91.539; 90 | 915.66 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
1515157 | CIF | C8 H6 O2 | P 1 21/n 1 | 8.9805; 7.2435; 15.1904 90; 97.9427; 90 | 978.66 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
1515158 | CIF | C12 H8 O3 | P c a 21 | 24.2219; 5.1953; 7.4212 90; 90; 90 | 933.88 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
1515159 | CIF | C12 H6 O3 | C 1 2/c 1 | 15.185; 8.7609; 7.1418 90; 116.501; 90 | 850.27 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
1515160 | CIF | C16 H8 O4 | A b a 2 | 8.8594; 8.8592; 46.7607 90; 90; 90 | 3670.12 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
1515161 | CIF | C40 H34 N10 O9 | P 21 21 21 | 10.3551; 13.6824; 25.595 90; 90; 90 | 3626.4 | Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042 |
1515162 | CIF | C40 H32 Cl2 N10 O8 | P 21 21 21 | 10.5103; 13.662; 25.537 90; 90; 90 | 3666.9 | Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042 |
1515163 | CIF | C40 H32 Cl2 N10 O8 | P 21 21 21 | 10.5003; 13.6695; 25.51 90; 90; 90 | 3661.5 | Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042 |
1515164 | CIF | C41 H33.25 Cl0.25 F N9 O8.75 | P 21 21 21 | 10.4183; 13.6836; 25.671 90; 90; 90 | 3659.7 | Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042 |
1515165 | CIF | C41 H33 N9 O9 | P 1 21/n 1 | 7.8466; 33.387; 14.0698 90; 94.602; 90 | 3674 | Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042 |
1515166 | CIF | C46 H36 N10 O9 | P -1 | 10.611; 12.959; 16.4525 73.499; 77.989; 72.668 | 2051.8 | Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042 |
1515167 | CIF | C32 H60 N4 O6 Rh2 | P 1 21/c 1 | 6.9865; 19.2728; 14.239 90; 103.327; 90 | 1865.64 | Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system Chemical Science, 2012, 3, 1785 |
1515168 | CIF | C20 H34 N6 O6 Rh2 | P 1 21/n 1 | 16.372; 8.7441; 17.2355 90; 104.039; 90 | 2393.71 | Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system Chemical Science, 2012, 3, 1785 |
1515169 | CIF | C108 H168 N12 | C 2 2 21 | 18.9708; 25.2751; 26.5778 90; 90; 90 | 12743.8 | Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L. Alkylated organic cages: from porous crystals to neat liquids Chemical Science, 2012, 3, 2153 |
1515170 | CIF | C123 H195 Cl9 N12 | I 2 3 | 19.2362; 19.2362; 19.2362 90; 90; 90 | 7118 | Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L. Alkylated organic cages: from porous crystals to neat liquids Chemical Science, 2012, 3, 2153 |
1515172 | CIF | C49 H50 F O9 P | P 21 21 2 | 24.661; 27.676; 6.5393 90; 90; 90 | 4463.2 | Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L. Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity Chemical Science, 2012, 3, 1866 |
1515173 | CIF | C49 H50 F O9 P | P 1 21 1 | 17.7436; 5.5873; 22.281 90; 105.469; 90 | 2128.9 | Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L. Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity Chemical Science, 2012, 3, 1866 |
1515174 | CIF | C18 H21 Au N3 P | P 21 21 21 | 10.131; 16.286; 22.312 90; 90; 90 | 3681 | Köster, S. David; Alborzinia, Hamed; Can, Suzan; Kitanovic, Igor; Wölfl, Stefan; Rubbiani, Riccardo; Ott, Ingo; Riesterer, Phillip; Prokop, Aram; Merz, Klaus; Metzler-Nolte, Nils A spontaneous gold(i)-azide alkyne cycloaddition reaction yields gold-peptide bioconjugates which overcome cisplatin resistance in a p53-mutant cancer cell line Chemical Science, 2012, 3, 2062 |
1515175 | CIF | C44 H57 I2 N7 O | P 1 21/c 1 | 9.249; 36.15; 14.659 90; 109.97; 90 | 4606.6 | Sokkalingam, Punidha; Kim, Dong Sub; Hwang, Hyonseok; Sessler, Jonathan L.; Lee, Chang-Hee A dicationic calix[4]pyrrole derivative and its use for the selective recognition and displacement-based sensing of pyrophosphate Chemical Science, 2012, 3, 1819 |
1515176 | CIF | C35.5 B Cl D F25 O | C 1 2/c 1 | 28.351; 13.1576; 19.608 90; 112.633; 90 | 6751.1 | Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex Chemical Science, 2012, 3, 1814 |
1515177 | CIF | C41.25 H10.5 B Cl0.25 F25 N2 | P -1 | 11.003; 19.158; 20.004 76.77; 85.03; 73.96 | 3943.8 | Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex Chemical Science, 2012, 3, 1814 |
1515178 | CIF | C23 H22 O5 | P 1 | 7.7512; 8.1381; 8.4256 69.558; 79.669; 74.031 | 476.75 | Li, Jun-Long; Zhou, Si-Li; Chen, Peng-Qiao; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun Asymmetric Diels‒Alder reaction of β,β-disubstituted enals and chromone-fused dienes: construction of collections with high molecular complexity and skeletal diversity Chemical Science, 2012, 3, 1879 |
1515179 | CIF | C12 H12 O3 | P 1 21/c 1 | 11.846; 6.8888; 12.417 90; 99.999; 90 | 997.9 | Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science, 2012, 3, 1975 |
1515180 | CIF | C13 H14 O3 | P -1 | 9.013; 9.018; 28.9 87.731; 87.947; 89.841 | 2346 | Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science, 2012, 3, 1975 |
1515181 | CIF | C16 H18 O2 S2 | P 1 21/c 1 | 7.089; 15.631; 13.579 90; 92.518; 90 | 1503.2 | Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science, 2012, 3, 1975 |
1515182 | CIF | C18 H16 O2 | P n a 21 | 19.372; 5.761; 24.488 90; 90; 90 | 2733 | Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science, 2012, 3, 1975 |
1515183 | CIF | C30 H32 B F16 O P | P -1 | 11.177; 11.228; 13.582 69.214; 82.733; 82.327 | 1573.5 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
1515184 | CIF | C21 H14 B F16 O P | P 1 21/c 1 | 16.1479; 9.9549; 15.5394 90; 109.713; 90 | 2351.6 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
1515185 | CIF | C25 H14 B F16 N O | P -1 | 9.1801; 10.333; 13.984 82.073; 74.808; 80.634 | 1256.7 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
1515186 | CIF | C27 H24 B F16 N O | P 1 21/n 1 | 11.1705; 16.0049; 15.9286 90; 95.113; 90 | 2836.4 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
1515187 | CIF | C25.5 H17 B Cl F16 N O | P -1 | 11.938; 15.0103; 16.2877 108.689; 100.946; 90.15 | 2708.1 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
1515188 | CIF | C26 H18 B F16 N O | P 1 21/n 1 | 9.4047; 11.0955; 25.2965 90; 95.391; 90 | 2628 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
1515189 | CIF | C29 H22 B F16 N2 O | P -1 | 10.7955; 17.5647; 20.0048 67.706; 77.881; 89.561 | 3420.7 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
1515190 | CIF | C43.99 H27.98 B Cl1.98 F16 O P | P 1 21/c 1 | 17.2019; 14.7018; 16.5689 90; 96.135; 90 | 4166.3 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
1515191 | CIF | C28 H28 B F16 N O | P 1 21/n 1 | 11.1411; 17.8797; 14.7969 90; 98.591; 90 | 2914.5 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
1515192 | CIF | C8 H10 N12 O Zn | R -3 :H | 23.862; 23.862; 14.686 90; 90; 120 | 7241.8 | Qin, Jun-Sheng; Du, Dong-Ying; Li, Wen-Liang; Zhang, Jing-Ping; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Xu, Qiang; Shao, Kui-Zhan; Lan, Ya-Qian N-rich zeolite-like metal‒organic framework with sodalite topology: high CO2 uptake, selective gas adsorption and efficient drug delivery Chemical Science, 2012, 3, 2114 |
1515193 | CIF | C44 H38 N6 O2 S6 Zn2 | P -1 | 12.575; 13.205; 14.031 112.044; 95.622; 104.585 | 2041.3 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
1515194 | CIF | C31 H47 B N6 O3 Zn | P 1 21/n 1 | 10.75; 19.725; 15.634 90; 91.283; 90 | 3314 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
1515195 | CIF | C39 H30 N6 O3 S6 Zn2 | P 1 21/c 1 | 22.3176; 10.4067; 17.2733 90; 99.229; 90 | 3959.8 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
1515196 | CIF | C23 H19 N3 O3 S3 Zn | P 1 21/n 1 | 8.928; 14.6268; 18.4948 90; 103.861; 90 | 2344.9 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
1515197 | CIF | C35 H28 N6 O3.5 S6 Zn2 | C 1 2/c 1 | 31.669; 8.7545; 28.505 90; 108.802; 90 | 7481 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
1515198 | CIF | C40.75 H36 N6 O2 S6 Zn2 | P -1 | 12.632; 15.474; 22.903 93.59; 96.263; 107.39 | 4225.2 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
1515199 | CIF | C33 H24 N6 O3 S6 Zn2 | P 1 21/n 1 | 8.8656; 28.048; 14.4431 90; 102.816; 90 | 3502 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
1515200 | CIF | C48 H72 K2 N6 O18 | P 1 21/n 1 | 22.76; 7.558; 31.61 90; 97.626; 90 | 5389 | Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A. Tunable transmembrane chloride transport by bis-indolylureas Chemical Science, 2012, 3, 1436 |
1515201 | CIF | C56 H104 N8 O10 P2 | C 1 2/c 1 | 19.3998; 20.67; 16.7096 90; 112.026; 90 | 6211.4 | Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A. Tunable transmembrane chloride transport by bis-indolylureas Chemical Science, 2012, 3, 1436 |
1515205 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.7223; 21.7779; 16.3387 90; 105.321; 90 | 3679.6 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
1515206 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.7119; 21.742; 16.4105 90; 105.404; 90 | 3684.7 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
1515207 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.7245; 21.8948; 16.3488 90; 105.251; 90 | 3703.7 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
1515208 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.786; 22.362; 16.405 90; 104.945; 90 | 3823 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
1515209 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.7248; 22.0346; 16.3099 90; 105.166; 90 | 3720.1 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
1515210 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.7075; 21.8698; 16.3273 90; 105.309; 90 | 3687.7 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
1515211 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.6878; 21.7334; 16.3349 90; 105.419; 90 | 3657.7 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
1515212 | CIF | C50 H55 N5 O12 Pd2 | P -1 | 11.125; 15.392; 15.758 74.695; 77.903; 70.463 | 2430.9 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
1515213 | CIF | C42 H48 N8 O12 Pd | P -1 | 8.435; 10.2678; 13.5105 77.953; 76.502; 72.666 | 1073.86 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
1515214 | CIF | C41 H40 Cl2 N O6 P Pd | C 1 2/c 1 | 47.4181; 11.0136; 17.7382 90; 107.608; 90 | 8829.7 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
1515215 | CIF | C12 H25 N3 O4 Pd | P 1 21/n 1 | 10.5351; 9.7782; 15.3104 90; 90.555; 90 | 1577.12 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
1515216 | CIF | C122 H124 Br2 Cl12 N8 O4 Zn2 | P -1 | 10.337; 15.431; 19.611 82.82; 84.35; 82.95 | 3069.2 | Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541 |
1515217 | CIF | C150 H162 N12 O2 Zn2 | P -1 | 11.998; 14.379; 19.482 82.891; 87.456; 76.474 | 3242.3 | Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541 |
1515218 | CIF | C154.044 H162.374 N11.518 O2 Zn2 | P -1 | 10.038; 18.807; 19.38 78.31; 84.46; 82.55 | 3543 | Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541 |
1515219 | CIF | C184 H178 N10 Zn2 | P -1 | 11.254; 16.718; 19.85 83.634; 79.865; 87.849 | 3653.1 | Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541 |
1515220 | CIF | C236 H235 Br2 Cl3 N16 O8 Zn4 | P -1 | 15.4354; 16.6155; 21.9618 98.915; 98.974; 93.126 | 5478.4 | Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541 |
1515221 | CIF | C172 H182 N16 Zn2 | P -1 | 12.428; 14.323; 21.854 80.953; 87.36; 69.226 | 3592 | Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541 |
1515222 | CIF | C28 H28 N4 O5 | P 21 21 21 | 8.5307; 9.5523; 30.0128 90; 90; 90 | 2445.7 | Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M. Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations Chemical Science, 2012, 3, 1623 |
1515223 | CIF | C26 H25 N3 O3.35 Pd | P 21 21 21 | 10.6627; 13.0584; 17.7049 90; 90; 90 | 2465.19 | Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M. Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations Chemical Science, 2012, 3, 1623 |
1515225 | CIF | C134 Cl6 D2 F28 | P n m a | 9.9798; 16.4442; 24.1424 90; 90; 90 | 3962 | Kuvychko, Igor V.; Whitaker, James B.; Larson, Bryon W.; Folsom, Travis C.; Shustova, Natalia B.; Avdoshenko, Stanislav M.; Chen, Yu-Sheng; Wen, Hui; Wang, Xue-Bin; Dunsch, Lothar; Popov, Alexey A.; Boltalina, Olga V.; Strauss, Steven H. Substituent effects in a series of 1,7-C60(RF)2 compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): electron affinities, reduction potentials and E(LUMO) values are not always correlated Chemical Science, 2012, 3, 1399 |
1515226 | CIF | C35 H33 Fe N2 O4.41 P | P 21 21 21 | 8.45; 11.0814; 32.443 90; 90; 90 | 3037.9 | Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P. Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions Chemical Science, 2012, 3, 1486 |
1515227 | CIF | C34 H31 Fe N2 O4 P | P 1 21 1 | 7.0453; 24.2072; 9.1599 90; 109.031; 90 | 1476.81 | Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P. Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions Chemical Science, 2012, 3, 1486 |
1515228 | CIF | C14 H12 Cl3 N5 Os | C 1 2/c 1 | 14.4225; 13.237; 9.0745 90; 102.821; 90 | 1689.2 | Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science, 2012, 3, 1582 |
1515229 | CIF | C8 H12 Cl3 N5 Os | C 1 2/c 1 | 10.314; 15.45; 8.562 90; 96.39; 90 | 1355.9 | Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science, 2012, 3, 1582 |
1515230 | CIF | C10 H16 Cl3 N5 Os | C 1 2/c 1 | 10.466; 14.595; 10.063 90; 92.79; 90 | 1535.31 | Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science, 2012, 3, 1582 |
1515231 | CIF | C16 H16 Cl3 N5 Os | P -1 | 10.4137; 11.0728; 11.4646 87.628; 70.662; 66.25 | 1135.25 | Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science, 2012, 3, 1582 |
1515232 | CIF | C23.5 H27 Cl F6 N2 Rh Sb | P 1 21/c 1 | 24.2; 13.427; 16.2572 90; 95.747; 90 | 5256 | Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds Chemical Science, 2012, 3, 1634 |
1515233 | CIF | C35 H36 F6 N2 O2 Rh S Sb | P 1 21/c 1 | 18.507; 10.873; 17.673 90; 103.416; 90 | 3459 | Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds Chemical Science, 2012, 3, 1634 |
1515234 | CIF | C86 H109 F30 N16 O10 P | P 21 21 21 | 19.21; 20.782; 25.12 90; 90; 90 | 10028 | Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor Chemical Science, 2012, 3, 1522 |
1515235 | CIF | C43 H54 F15 N8 O4 | P -1 | 13.939; 14.194; 14.511 93.624; 118.198; 96.509 | 2491.5 | Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor Chemical Science, 2012, 3, 1522 |
1515236 | CIF | C21 H19 B | P 1 21/a 1 | 7.9976; 30.448; 13.5205 90; 96.2528; 90 | 3272.8 | Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461 |
1515237 | CIF | C24 H22 B N | P 4/n :2 | 22.546; 22.546; 7.1203 90; 90; 90 | 3619.4 | Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461 |
1515238 | CIF | C23 H19 B O | C 1 2/c 1 | 25.956; 8.077; 16.85 90; 105.859; 90 | 3398.1 | Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461 |
1515239 | CIF | C23 H19 B S | C 1 2/c 1 | 32.132; 7.89; 14.955 90; 106.728; 90 | 3631 | Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461 |
1515240 | CIF | C11 H23 Cl N6 | P -1 | 4.4289; 9.6455; 17.6718 101.395; 95.279; 92.673 | 735.28 | Xu, Jun; Wu, Guanglu; Wang, Zhiqiang; Zhang, Xi Generation of 2D organic microsheets from protonated melamine derivatives: suppression of the self assembly of a particular dimension by introduction of alkyl chains Chemical Science, 2012, 3, 3227 |
1515241 | CIF | C67 H74 B F4 N3 O8 | P 1 21/c 1 | 16.242; 18.9077; 19.5236 90; 94.318; 90 | 5978.7 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
1515242 | CIF | C100 H114 N4 O10 | P 1 21/c 1 | 14.1231; 23.13; 26.377 90; 100.575; 90 | 8470.2 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
1515243 | CIF | C76.5 H96.5 B2 Cl1.5 F8 N4 O8 | C 1 2/c 1 | 13.833; 29.043; 38.755 90; 97.751; 90 | 15428 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
1515244 | CIF | C89.5 H107.5 B2 Cl1.5 F8 N5 O12 | P 1 21/c 1 | 21.517; 39.753; 11.1884 90; 96.934; 90 | 9500 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
1515245 | CIF | C89 H111 B2 F8 N9 O18 | P -1 | 14.951; 16.589; 9.3553 100.333; 92.296; 91.691 | 2279.3 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
1515246 | CIF | C15 H15 N O3 S | P 21 21 21 | 5.4774; 10.39; 25.084 90; 90; 90 | 1427.5 | Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi Chiral ionic Brønsted acid‒achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins Chemical Science, 2012, 3, 3161 |
1515247 | CIF | C16 H17 N O4 S | P 21 21 21 | 5.5219; 12.136; 23.04 90; 90; 90 | 1544 | Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi Chiral ionic Brønsted acid‒achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins Chemical Science, 2012, 3, 3161 |
1515248 | CIF | C23 H23 Cu F18 N O6 | P -1 | 10.2817; 10.9413; 15.5048 88.673; 82.244; 67.515 | 1596.1 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
1515249 | CIF | C26 H30 F18 N Ni O6 | P -1 | 9.9155; 10.9991; 15.6366 83.547; 90.332; 70.468 | 1595.32 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
1515250 | CIF | C23 H23 F18 N O6 Zn | P -1 | 10.3786; 10.8425; 15.1786 86.056; 80.156; 67.947 | 1559.8 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
1515251 | CIF | C21 H15 Cu F12 N O6 S | P -1 | 11.5841; 12.0774; 12.1591 63.859; 71.425; 64.501 | 1360.82 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
1515252 | CIF | C23 H20 Cl N O2 S | P 1 21 1 | 10.3431; 9.0814; 10.9394 90; 102.94; 90 | 1001.44 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
1515253 | CIF | C23 H20 Cl N O2 S | P 1 21 1 | 11.9219; 12.6553; 13.531 90; 106.461; 90 | 1957.82 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
1515254 | CIF | C8 H10 Cd N4 | I m -3 m | 30.5539; 30.5539; 30.5539 90; 90; 90 | 28523.3 | Karagiaridi, Olga; Bury, Wojciech; Sarjeant, Amy A.; Stern, Charlotte L.; Farha, Omar K.; Hupp, Joseph T. Synthesis and characterization of isostructural cadmium zeolitic imidazolate frameworks via solvent-assisted linker exchange Chemical Science, 2012, 3, 3256 |
1515255 | CIF | C8 H12 N O2 | P 1 21/c 1 | 7.3754; 11.0558; 9.6355 90; 105.863; 90 | 755.77 | Sonobe, Toshiaki; Oisaki, Kounosuke; Kanai, Motomu Catalytic aerobic production of imines en route to mild, green, and concise derivatizations of amines Chemical Science, 2012, 3, 3249 |
1515256 | CIF | C156 H60 N12 O50 Zn19 | I a -3 | 43.03; 43.03; 43.03 90; 90; 90 | 79674 | Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin Chemical Science, 2012, 3, 2823 |
1515257 | CIF | C156 H60 Cd11 N12 O51 | P m -3 m | 22.521; 22.521; 22.521 90; 90; 90 | 11423 | Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin Chemical Science, 2012, 3, 2823 |
1515258 | CIF | C169.5 H273 Mn7 N18 O37.5 | R -3 :H | 32.152; 32.152; 31.611 90; 90; 120 | 28300 | Hoeke, Veronika; Gieb, Klaus; Müller, Paul; Ungur, Liviu; Chibotaru, Liviu F.; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schröder, Christian; Schnack, Jürgen; Glaser, Thorsten Hysteresis in the ground and excited spin state up to 10 T of a [MnIII6MnIII]3+ triplesalen single-molecule magnet Chemical Science, 2012, 3, 2868 |
1515259 | CIF | C53.53 H67.58 N11 O12.86 | P -1 | 10.9563; 13.8555; 19.2 70.922; 84.699; 78.582 | 2698.8 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
1515260 | CIF | C104 H118 N22 O20 | I 1 2/a 1 | 23.1428; 17.9913; 27.126 90; 97.895; 90 | 11187.4 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
1515261 | CIF | C53.53 H67.58 N11 O12.86 | P -1 | 10.9563; 13.8555; 19.2 70.922; 84.699; 78.582 | 2698.8 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
1515262 | CIF | C53.53 H67.58 N11 O12.86 | P -1 | 10.9563; 13.8555; 19.2 70.922; 84.699; 78.582 | 2698.8 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
1515263 | CIF | C110 H110 Cl9 N7 S24 | C 1 2/c 1 | 31.769; 20.0818; 24.852 90; 129.585; 90 | 12219.2 | Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685 |
1515264 | CIF | C110 H127 Cl3 N6 S20 | P n m a | 28.3045; 24.6469; 17.5652 90; 90; 90 | 12253.8 | Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685 |
1515265 | CIF | C79 H85 Cl8 N5 S16 | P n n m | 29.858; 14.168; 21.609 90; 90; 90 | 9141 | Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685 |
1515266 | CIF | C18 H36 Cd N2 | P 1 21/n 1 | 11.8651; 11.5596; 15.509 90; 112.201; 90 | 1969.45 | Armstrong, David R.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Robertson, Stuart D. Opening the black box of mixed-metal TMP metallating reagents: direct cadmation or lithium‒cadmium transmetallation? Chemical Science, 2012, 3, 2700 |
1515267 | CIF | C32 H28 N6 Si | P b c n | 20.8494; 10; 13.5537 90; 90; 90 | 2825.9 | Liu, Jianzhao; Su, Huimin; Meng, Luming; Zhao, Yihua; Deng, Chunmei; Ng, Jason C. Y.; Lu, Ping; Faisal, Mahtab; Lam, Jacky W. Y.; Huang, Xuhui; Wu, Hongkai; Wong, Kam Sing; Tang, Ben Zhong What makes efficient circularly polarised luminescence in the condensed phase: aggregation-induced circular dichroism and light emission Chemical Science, 2012, 3, 2737 |
1515268 | CIF | C18 H21 N O6 | P 1 | 11.3125; 12.0218; 13.7304 102.179; 107.108; 93.227 | 1730.44 | Kimmel, Kyle L.; Weaver, Jimmie D.; Ellman, Jonathan A. Enantio- and diastereoselective addition of cyclohexyl Meldrum's acid to β- and α,β-disubstituted nitroalkenes via N-sulfinyl urea catalysis Chemical Science, 2012, 3, 121 |
1515270 | CIF | C24 H25 Br N2 O | P 21 21 21 | 7.4734; 46.036; 6.1199 90; 90; 90 | 2105.5 | Zhuo, Chun-Xiang; Liu, Wen-Bo; Wu, Qing-Feng; You, Shu-Li Asymmetric dearomatization of pyrroles via Ir-catalyzed allylic substitution reaction: enantioselective synthesis of spiro-2H-pyrroles Chemical Science, 2012, 3, 205 |
1515271 | CIF | C67.5 H36 B F24 N5 P | C 1 2/c 1 | 30.1073; 18.082; 22.4608 90; 106.257; 90 | 11738.8 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
1515272 | CIF | C74.5 H22.25 Cl3.25 F24 N5 O P | P 1 21/a 1 | 29.5322; 10.3705; 41.5808 90; 99.1602; 90 | 12572.3 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
1515273 | CIF | C76 H30 F24 N5 P S | P 1 21/c 1 | 19.4591; 8.6913; 37.1609 90; 94.5998; 90 | 6264.6 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
1515274 | CIF | C57.75 H11 Cl3 F24 N6 O1.5 P | P -1 | 10.1849; 14.9773; 17.6759 85.568; 88.271; 76.766 | 2616.7 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
1515275 | CIF | C14 H21 N9 O6 | P 1 | 15.8942; 16.2322; 17.6688 89.748; 72.741; 63.537 | 3853.3 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
1515276 | CIF | C24 H70 N6 O30 S2 | P 1 21 1 | 6.8516; 26.1435; 12.6653 90; 102.975; 90 | 2210.7 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
1515277 | CIF | C24 H70 N6 O30 S2 | C 2 2 21 | 6.7453; 25.6806; 25.6822 90; 90; 90 | 4448.76 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
1515278 | CIF | C56 H118 N13 O47 S5 | P 1 | 6.6138; 16.3922; 23.9598 101.113; 92.328; 95.176 | 2534 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
1515358 | CIF | C10 H14 Cl2 Ru S | P 1 21/n 1 | 7.0069; 12.8404; 12.4298 90; 92.9276; 90 | 1116.87 | Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin Direct observation of a cationic ruthenium complex for ethylene insertion polymerization Chemical Science, 2013, 4, 2902 |
1515359 | CIF | C12 H20 Ru S | P 1 21/n 1 | 6.8375; 13.5463; 12.8712 90; 93.878; 90 | 1189.44 | Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin Direct observation of a cationic ruthenium complex for ethylene insertion polymerization Chemical Science, 2013, 4, 2902 |
1515360 | CIF | C13 H19 Cl N2 S | P b c n | 13.987; 8.17; 24.959 90; 90; 90 | 2852 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515361 | CIF | C13 H19 N3 O2 S | P -1 | 5.2833; 14.9019; 18.0119 91.957; 95.987; 92.116 | 1408.4 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515362 | CIF | C14 H19 N3 S | P -1 | 7.466; 8.049; 13.472 82.276; 82.154; 63.734 | 716.7 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515363 | CIF | C14 H22 N2 S | P 1 21/n 1 | 10.731; 8.475; 16.092 90; 102.01; 90 | 1431.5 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515364 | CIF | C15 H22 N2 O2 S | P 1 21/c 1 | 11.0875; 7.4703; 37.579 90; 100.356; 90 | 3061.8 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515365 | CIF | C14 H19 F3 N2 S | P 1 21/c 1 | 13.298; 13.278; 8.673 90; 91.912; 90 | 1530.5 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515366 | CIF | C13 H19 Br N2 S | P 1 21/c 1 | 17.3563; 7.8428; 21.0265 90; 97.599; 90 | 2837 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515367 | CIF | C13 H19 F N2 S | P c a 21 | 17.405; 8.732; 17.612 90; 90; 90 | 2677 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515368 | CIF | C15 H22 N2 O2 S | P 1 21/n 1 | 5.553; 9.157; 30.91 90; 93.215; 90 | 1569 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515369 | CIF | C15 H24 N2 O S | P -1 | 8.39; 9.689; 19.62 93.19; 101.167; 90.09 | 1562 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515370 | CIF | C13 H19 I N2 S | P 1 21/n 1 | 11.4798; 8.4051; 15.6294 90; 102.55; 90 | 1472.03 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515371 | CIF | C15 H19 F3 N2 O S | P -1 | 5.2392; 11.02; 14.5788 75.946; 79.884; 79.501 | 795.2 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515372 | CIF | C14 H22 N2 O S | P 1 21/c 1 | 36.04; 4.347; 9.59 90; 95.3; 90 | 1496 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515373 | CIF | C15 H24 N2 S | P 1 21/c 1 | 13.07; 13.28; 8.885 90; 93.56; 90 | 1539 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515374 | CIF | C16 H26 N2 S | P 1 21/c 1 | 22.536; 7.7393; 9.223 90; 98.488; 90 | 1591 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515375 | CIF | C15 H22 N2 O S | P b c a | 7.756; 10.12; 37.38 90; 90; 90 | 2934 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515377 | CIF | C70 H108 N12 O20 S6 | P 1 21 1 | 12.181; 16.841; 20.805 90; 102.322; 90 | 4169.6 | Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde Chemical Science, 2014, 5, 2647 |
1515378 | CIF | C70 H114 I N12 Na O23 S6 | P 1 21 1 | 12.468; 16.713; 21.06 90; 103.28; 90 | 4271 | Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde Chemical Science, 2014, 5, 2647 |
1515379 | CIF | C33 H75 Cl N4 Si3 Th | P 1 21/n 1 | 13.004; 15.655; 20.436 90; 90.515; 90 | 4160.1 | Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls Chemical Science, 2014, 5, 2489 |
1515380 | CIF | C33 H74 N4 Si3 U | P 1 21/n 1 | 9.347; 22.333; 18.92 90; 92.508; 90 | 3945.7 | Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls Chemical Science, 2014, 5, 2489 |
1515381 | CIF | C33 H74 N4 Si3 Th | P 1 21/n 1 | 9.44392; 22.3863; 18.8042 90; 92.5386; 90 | 3971.58 | Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls Chemical Science, 2014, 5, 2489 |
1515382 | CIF | C40 H82 N4 Si3 Th | P -1 | 18.7387; 24.4559; 24.9335 60.713; 89.936; 69.909 | 9163 | Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls Chemical Science, 2014, 5, 2489 |
1515400 | CIF | C51 H50 B Ca F15 N2 O | P 1 21/n 1 | 12.5666; 19.7682; 20.4056 90; 107.382; 90 | 4837.65 | Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis Chemical Science, 2014, 5, 2826 |
1515401 | CIF | C56.8 H50.6 B F15 Mg N2 O4 | C 1 2/c 1 | 25.258; 12.873; 34.507 90; 99.746; 90 | 11057.9 | Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis Chemical Science, 2014, 5, 2826 |
1515402 | CIF | C52 H58 N4 O8 S4 | P -1 | 9.371; 9.447; 27.755 84.533; 83.63; 88.365 | 2430.4 | Wu, Guanglu; Thomas, Joice; Smet, Mario; Wang, Zhiqiang; Zhang, Xi Controlling the self-assembly of cationic bolaamphiphiles: hydrotropic counteranions determine aggregated structures Chemical Science, 2014, 5, 3267 |
1515411 | CIF | C21 H30 | P 1 21/c 1 | 9.5922; 7.2501; 24.0793 90; 95.81; 90 | 1665.98 | Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S. Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes Chemical Science, 2011, 2, 229 |
1515412 | CIF | C24 H34 | P b c n | 10.5317; 13.1456; 13.7434 90; 90; 90 | 1902.71 | Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S. Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes Chemical Science, 2011, 2, 229 |
1515414 | CIF | C12 H18 N2 O | P c c n | 21.8777; 24.4332; 8.9667 90; 90; 90 | 4793.1 | Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A. Structurally simple lipid bilayer transport agents for chloride and bicarbonate Chemical Science, 2011, 2, 256 |
1515415 | CIF | C14 H19 N3 S | I 41/a :2 | 29.2158; 29.2158; 7.5897 90; 90; 90 | 6478.3 | Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A. Structurally simple lipid bilayer transport agents for chloride and bicarbonate Chemical Science, 2011, 2, 256 |
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