Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1517271 | CIF | C371 H328 B16 Co8 F64 N72 O26 | C 1 2/c 1 | 27.3936; 39.1227; 41.964 90; 107.152; 90 | 42973 | Cullen, William; Turega, Simon; Hunter, Christopher A.; Ward, Michael D. pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules Chem. Sci., 2015, 6, 625 |
| 1517459 | CIF | C46 H44 Cl2 F6 N O7 P3 Ru S2 | P 1 21 1 | 12.731; 15.301; 13.247 90; 109.038; 90 | 2439.3 | Wesselbaum, Sebastian; Moha, Verena; Meuresch, Markus; Brosinski, Sandra; Thenert, Katharina M.; Kothe, Jens; Stein, Thorsten vom; Englert, Ulli; Hölscher, Markus; Klankermayer, Jürgen; Leitner, Walter Hydrogenation of carbon dioxide to methanol using a homogeneous ruthenium‒Triphos catalyst: from mechanistic investigations to multiphase catalysis Chem. Sci., 2015, 6, 693 |
| 1517514 | CIF | C12 H12 F6 P Tc | P 1 21/c 1 | 13.8831; 9.8745; 9.719 90; 94.232; 90 | 1328.73 | Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci., 2015, 6, 165 |
| 1517515 | CIF | C14 H16 F6 P Tc | P 1 21/n 1 | 7.7559; 11.003; 8.9353 90; 98.474; 90 | 754.2 | Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci., 2015, 6, 165 |
| 1517516 | CIF | C18 H24 F6 P Tc | P 21 21 21 | 9.2697; 13.0695; 15.815 90; 90; 90 | 1916 | Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci., 2015, 6, 165 |
| 1517517 | CIF | C20 H24 F6 P Tc | P 1 21/n 1 | 8.7563; 12.1899; 9.5187 90; 108.089; 90 | 965.8 | Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci., 2015, 6, 165 |
| 1517518 | CIF | C21 H49 Al Cl7 N7 O7 Tc | P 1 21 1 | 8.8724; 23.5963; 9.6318 90; 96.888; 90 | 2001.92 | Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci., 2015, 6, 165 |
| 1517671 | CIF | C22 H19 F O2 | P 1 21/c 1 | 15.5436; 8.7069; 12.5382 90; 92.769; 90 | 1694.9 | Alza, Esther; Laraia, Luca; Ibbeson, Brett M.; Collins, Súil; Galloway, Warren R. J. D.; Stokes, Jamie E.; Venkitaraman, Ashok R.; Spring, David R. Synthesis of a novel polycyclic ring scaffold with antimitotic properties via a selective domino Heck‒Suzuki reaction Chem. Sci., 2015, 6, 390 |
| 1517680 | CIF | C39 H36 Ag3 F9 N12 O9.5 S3 | P 1 21/n 1 | 13.528; 20.05; 18.26 90; 107.1; 90 | 4733.8 | He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci., 2015, 6, 654 |
| 1517681 | CIF | C40 H36 Ag5 F9 N12 O10 S4 | P 21 21 21 | 10.57; 21.277; 23.103 90; 90; 90 | 5195.8 | He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci., 2015, 6, 654 |
| 1517682 | CIF | C75 H72 Ag5 F9 N24 O9 S4 | C 1 2/c 1 | 23.725; 19.387; 18.732 90; 90.71; 90 | 8615 | He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci., 2015, 6, 654 |
| 1517683 | CIF | C40 H36 Ag6 F10.5 N12 O16 S4.5 | P b c n | 12.772; 35.464; 25.664 90; 90; 90 | 11624 | He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci., 2015, 6, 654 |
| 1517789 | CIF | C51 H54 O6 | P -1 | 13.7149; 15.9855; 20.8687 103.455; 105.879; 93.251 | 4244.3 | Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju Biphen[n]arenes Chem. Sci., 2015, 6, 197 |
| 1517790 | CIF | C68 H72 O8 | P 1 21/c 1 | 11.5532; 30.664; 7.71 90; 90.771; 90 | 2731.2 | Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju Biphen[n]arenes Chem. Sci., 2015, 6, 197 |
| 1517834 | CIF | C16 H15 N5 O2 | P 1 21/c 1 | 11.641; 8.7512; 14.7356 90; 92.598; 90 | 1499.61 | Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch Chem. Sci., 2015, 6, 209 |
| 1517835 | CIF | C19 H20.5 Cl N6.5 O7 Zn | C 1 2/c 1 | 22.782; 7.5608; 26.996 90; 102.942; 90 | 4531.9 | Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch Chem. Sci., 2015, 6, 209 |
| 1517851 | CIF | C23 H17 N O6 | P b c a | 21.073; 7.448; 23.393 90; 90; 90 | 3671.6 | Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G. New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species Chem. Sci., 2015, 6, 123 |
| 1517852 | CIF | C111 H92 Co4 N16 O16 | C 1 2/c 1 | 16.833; 19.112; 30.84 90; 101.398; 90 | 9726 | Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G. New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species Chem. Sci., 2015, 6, 123 |
| 1517853 | CIF | C194 H158 B2 Co8 F8 N24 Na4 O34 | P 1 21/c 1 | 18.4101; 17.6277; 30.4003 90; 106.78; 90 | 9445.7 | Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G. New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species Chem. Sci., 2015, 6, 123 |
| 1517854 | CIF | C62 H87 N O7 S U | P -1 | 14.4228; 14.8678; 15.4212 112.831; 96.488; 108.933 | 2772.5 | Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes Chem. Sci., 2015, 6, 275 |
| 1517855 | CIF | C64 H83 N O5 Se U | P -1 | 16.827; 17.007; 19.804 88.022; 80.746; 82.903 | 5550.2 | Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes Chem. Sci., 2015, 6, 275 |
| 1517856 | CIF | C58 H77 N O5 Te U | P -1 | 11.2439; 12.9994; 18.636 102.273; 101.519; 100.806 | 2531.7 | Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes Chem. Sci., 2015, 6, 275 |
| 1517857 | CIF | C124.5 H154.5 N2 O6 S2 U2 | P -1 | 11.1756; 16.817; 28.662 85.233; 87.451; 88.366 | 5361.1 | Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes Chem. Sci., 2015, 6, 275 |
| 1517858 | CIF | C126 H156 N2 O6 Se2 U2 | P -1 | 11.217; 16.815; 28.68 85.324; 87.434; 88.412 | 5384.5 | Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes Chem. Sci., 2015, 6, 275 |
| 1517859 | CIF | C150 H179.5 N2 O6.35 Te2 U2 | P -1 | 16.773; 16.923; 25.039 105.196; 102.968; 101.507 | 6426.8 | Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes Chem. Sci., 2015, 6, 275 |
| 1517871 | CIF | C29 H17 Cl2 F12 Fe Hg3 P5 | P -1 | 11.733; 12.1852; 13.1641 85.129; 80.243; 74.103 | 1782.43 | Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci., 2015, 6, 132 |
| 1517872 | CIF | C29 H17 As5 Cl2 F12 Fe Hg3 | P -1 | 11.9982; 13.3448; 14.1016 65.329; 78.072; 66.415 | 1878.24 | Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci., 2015, 6, 132 |
| 1517873 | CIF | C9 H13 Fe P5 | P n m a | 11.4347; 23.4865; 15.1315 90; 90; 90 | 4063.73 | Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci., 2015, 6, 132 |
| 1517874 | CIF | C13 H21 Fe P5 | P c a 21 | 18.7588; 6.5778; 14.1509 90; 90; 90 | 1746.1 | Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci., 2015, 6, 132 |
| 1517875 | CIF | C17 H29 Fe P5 | P 1 21/c 1 | 9.0507; 25.602; 10.1648 90; 115.783; 90 | 2120.87 | Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci., 2015, 6, 132 |
| 1517876 | CIF | C31 H21 F12 Fe Hg3 P5 | P -1 | 12.0744; 12.2486; 14.5238 69.244; 82.395; 65.44 | 1826.58 | Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci., 2015, 6, 132 |
| 1517877 | CIF | C36.5 H32 Cl3 F12 Fe Hg3 P5 | P 1 21 1 | 12.3145; 26.4751; 14.4338 90; 107.168; 90 | 4496.14 | Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci., 2015, 6, 132 |
| 1517878 | CIF | C55 H53 As15 F12 Fe3 Hg3 | C 1 2/c 1 | 48.2155; 14.138; 22.3159 90; 109.887; 90 | 14304.9 | Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci., 2015, 6, 132 |
| 1517879 | CIF | C19 H2 Cl2 F12 Hg3 | P -1 | 9.2776; 9.7199; 12.7689 103.463; 100.8; 97.447 | 1081.75 | Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci., 2015, 6, 132 |
| 1517880 | CIF | C28 H15 Cl2 F12 Fe Hg3 P5 | P -1 | 11.6373; 11.8015; 15.7005 89.754; 68.252; 66.286 | 1806.94 | Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci., 2015, 6, 132 |
| 1517881 | CIF | C26 H24 F18 Li2 O2 | P -1 | 9.0486; 12.7853; 14.6892 84.024; 74.906; 69.739 | 1539.05 | Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B. Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups Chem. Sci., 2015, 6, 308 |
| 1517882 | CIF | C28 H17 B F18 | P 1 21/n 1 | 9.1239; 24.4308; 12.5042 90; 97.114; 90 | 2765.78 | Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B. Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups Chem. Sci., 2015, 6, 308 |
| 1517883 | CIF | C36 H36 B N | P 1 21/n 1 | 8.8391; 34.0268; 9.5807 90; 100.72; 90 | 2831.26 | Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B. Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups Chem. Sci., 2015, 6, 308 |
| 1517884 | CIF | C36 H18 B F18 N | I 41 | 23.5023; 23.5023; 25.182 90; 90; 90 | 13909.5 | Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B. Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups Chem. Sci., 2015, 6, 308 |
| 1517885 | CIF | C24 H9 B F18 | P b c a | 15.56; 8.7136; 35.624 90; 90; 90 | 4830 | Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B. Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups Chem. Sci., 2015, 6, 308 |
| 1517951 | CIF | C252 H276 Co4 F36 N48 P6 | R -3 | 30.5162; 30.5162; 71.022 90; 90; 120 | 57278 | Symmers, P. R.; Burke, M. J.; August, D. P.; Thomson, P. I. T.; Nichol, G. S.; Warren, M. R.; Campbell, C. J.; Lusby, P. J. Non-equilibrium cobalt(iii) “click” capsules Chem. Sci., 2015, 6, 756 |
| 1517963 | CIF | F0.5 O32.5 Si16 | I m m m | 26.585; 24.926; 15.939 90; 90; 90 | 10562.1 | Jiang, Jiuxing; Yun, Yifeng; Zou, Xiaodong; Jorda, Jose Luis; Corma, Avelino ITQ-54: a multi-dimensional extra-large pore zeolite with 20 ×14 ×12-ring channels Chem. Sci., 2015, 6, 480 |
| 1517964 | CIF | C36 H30 Cl4 Ni P2 | P b c a | 17.435; 15.662; 24.139 90; 90; 90 | 6592 | Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G. Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl Chem. Sci., 2015, 6, 917 |
| 1517965 | CIF | C18 H15 Cl2 P | P 1 21/c 1 | 13.338; 14.376; 8.7454 90; 102.53; 90 | 1637 | Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G. Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl Chem. Sci., 2015, 6, 917 |
| 1517966 | CIF | C19 H15 Cl F3 O3 P S | P 1 21/n 1 | 11.255; 9.1501; 18.658 90; 93.04; 90 | 1918.8 | Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G. Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl Chem. Sci., 2015, 6, 917 |
| 1517967 | CIF | C40 H48 Cl4 Ni O4 P2 | P 1 21/n 1 | 10.1261; 23.4579; 17.8192 90; 106.355; 90 | 4061.4 | Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G. Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl Chem. Sci., 2015, 6, 917 |
| 1517970 | CIF | C12 H12 Au Br2 N O | P -1 | 7.0801; 10.0993; 10.1771 97.689; 99.69; 92.96 | 708.82 | Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation Chem. Sci., 2015, 6, 288 |
| 1517971 | CIF | C18 H15 Au Br N | P b c a | 15.9554; 11.7205; 16.839 90; 90; 90 | 3148.98 | Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation Chem. Sci., 2015, 6, 288 |
| 1517972 | CIF | C18 H16 Au Cl2 N | P -1 | 7.8572; 8.2744; 15.3789 93.413; 103.381; 113.776 | 876.93 | Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation Chem. Sci., 2015, 6, 288 |
| 1517979 | CIF | C19 H16 N2 O3 | P 1 21 1 | 6.8436; 26.8023; 8.3932 90; 90.9; 90 | 1539.33 | Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures Chem. Sci., 2015, 6, 457 |
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