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 |
| 1517980 | CIF | C19 H16 N2 O3 | P 1 21 1 | 6.8507; 26.777; 8.4103 90; 90.84; 90 | 1542.63 | 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 |
| 1517981 | CIF | C26 H22 N2 O3 | P 1 21 1 | 5.4249; 16.5948; 11.417 90; 98.277; 90 | 1017.11 | 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 |
| 1517982 | CIF | C26 H22 N2 O3 | P 1 21 1 | 5.4288; 16.6067; 11.4114 90; 98.2867; 90 | 1018.05 | 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 |
| 1517983 | CIF | C57 H49.5 Eu N6 O11.5 | C 2 2 21 | 26.0015; 26.4029; 30.8305 90; 90; 90 | 21165.6 | 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 |
| 1517990 | CIF | C197.82 H137.82 Cl5.46 | C 1 2 1 | 53.108; 21.244; 26.197 90; 98.53; 90 | 29229 | Matsuno, Taisuke; Sato, Sota; Iizuka, Ryosuke; Isobe, Hiroyuki Molecular recognition in curved π-systems: effects of π-lengthening of tubular molecules on thermodynamics and structures Chem. Sci., 2015, 6, 909 |
| 1518019 | CIF | C36 H66 Al Cl5 P2 Pb Pt | P c a 21 | 25.2527; 13.9068; 24.7327 90; 90; 90 | 8685.7 | Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci., 2015, 6, 425 |
| 1518020 | CIF | C120 H156 B2 Cl18 P4 Pb2 Pt2 | P -1 | 10.5092; 15.3892; 20.0776 109.785; 90.439; 90.796 | 3054.9 | Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci., 2015, 6, 425 |
| 1518021 | CIF | C36 H66 Al Cl4 I P2 Pb Pt | P -1 | 13.381; 13.612; 13.987 92.698; 111.864; 101.984 | 2291 | Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci., 2015, 6, 425 |
| 1518022 | CIF | C36 H66 Al2 Cl8 P2 Pb Pt | C 1 2/c 1 | 20.719; 10.6901; 23.859 90; 111.311; 90 | 4923.1 | Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci., 2015, 6, 425 |
| 1518023 | CIF | C72 H132 Br2 P4 Pt2 Sn | P -1 | 13.9687; 14.2448; 21.1628 96.439; 101.9; 114.878 | 3643.1 | Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci., 2015, 6, 425 |
| 1518024 | CIF | C36 H66 Al Br5 P2 Pt Sn | P -1 | 11.5394; 12.469; 17.7 105.191; 100.053; 107.994 | 2245.2 | Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci., 2015, 6, 425 |
| 1518025 | CIF | C60 H78 B Br Cl8 P2 Pt Sn | P -1 | 13.5049; 15.4437; 15.6528 82.203; 78.913; 85.651 | 3169.9 | Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci., 2015, 6, 425 |
| 1518026 | CIF | C36 H66 Al2 Br8 P2 Pt Sn | P 1 21/n 1 | 13.2989; 22.907; 16.964 90; 99.008; 90 | 5104.1 | Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci., 2015, 6, 425 |
| 1518027 | CIF | C56 H110 Br3 N O P2 Pt Sn | P -1 | 15.687; 20.715; 21.567 75.297; 82.231; 78.538 | 6617 | Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci., 2015, 6, 425 |
| 1518028 | CIF | C36 H49.5 Cl F12 Fe Li2 N O6 | P -1 | 12.26; 12.5792; 15.8788 75.171; 71.664; 67.768 | 2125.4 | Pascualini, M. E.; Di Russo, N. V.; Thuijs, A. E.; Ozarowski, A.; Stoian, S. A.; Abboud, K. A.; Christou, G.; Veige, A. S. A high-spin square-planar Fe(ii) complex stabilized by a trianionic pincer-type ligand and conclusive evidence for retention of geometry and spin state in solution Chem. Sci., 2015, 6, 608 |
| 1518079 | CIF | C12 As2 F21 Se2 | P -1 | 8.5406; 8.5891; 14.093 84.9; 84.781; 88.091 | 1025.1 | Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens Diaryldichalcogenide radical cations Chem. Sci., 2015, 6, 497 |
| 1518080 | CIF | C48 H50 S2 | P 1 21/n 1 | 15.695; 15.264; 16.274 90; 93.45; 90 | 3891.7 | Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens Diaryldichalcogenide radical cations Chem. Sci., 2015, 6, 497 |
| 1518081 | CIF | C48 H50 F6 S2 Sb | P 1 21/n 1 | 16.17; 15.837; 17.339 90; 92.97; 90 | 4434.3 | Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens Diaryldichalcogenide radical cations Chem. Sci., 2015, 6, 497 |
| 1518082 | CIF | C49 H52 Cl2 F6 Sb Se2 | P 1 21/c 1 | 19.147; 15.238; 16.653 90; 90.08; 90 | 4859 | Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens Diaryldichalcogenide radical cations Chem. Sci., 2015, 6, 497 |
| 1518083 | CIF | C51 H55 F6 N Sb Te2 | C 1 2/c 1 | 19.854; 14.726; 17.178 90; 92.07; 90 | 5019 | Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens Diaryldichalcogenide radical cations Chem. Sci., 2015, 6, 497 |
| 1518084 | CIF | C12 F21 S2 Sb2 | P 1 21/n 1 | 12.029; 12.276; 14.44 90; 97.662; 90 | 2113.3 | Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens Diaryldichalcogenide radical cations Chem. Sci., 2015, 6, 497 |
| 1518097 | CIF | C60 H78 Cl2 Ir N2 O6.5 P2 S2 | P -1 | 11.6106; 17.2668; 18.6161 113.198; 95.475; 105.211 | 3226 | Oldenhof, Sander; Lutz, Martin; de Bruin, Bas; Ivar van der Vlugt, Jarl; Reek, Joost N. H. Dehydrogenation of formic acid by Ir‒bisMETAMORPhos complexes: experimental and computational insight into the role of a cooperative ligand Chem. Sci., 2015, 6, 1027 |
| 1518098 | CIF | C30 H25 N O4 | P -1 | 12.1231; 12.9429; 17.2915 95.734; 108.021; 113.144 | 2295 | Berger, Reinhard; Wagner, Manfred; Feng, Xinliang; Müllen, Klaus Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics Chem. Sci., 2015, 6, 436 |
| 1518099 | CIF | C38.5 H20 Cl F10 N | P -1 | 12.6166; 16.35; 16.738 87.227; 75.478; 67.501 | 3083.7 | Berger, Reinhard; Wagner, Manfred; Feng, Xinliang; Müllen, Klaus Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics Chem. Sci., 2015, 6, 436 |
| 1518139 | CIF | C40 H60 Cu3 K N8 O54 Ru Si W11 | P -4 21 m | 24.415; 24.415; 15.337 90; 90; 90 | 9142 | Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation Chem. Sci., 2015, 6, 1035 |
| 1518140 | CIF | C40 H58 Cu2 K N8 O52 Ru Si W11 | P c c n | 17.8663; 22.1923; 22.2835 90; 90; 90 | 8835.3 | Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation Chem. Sci., 2015, 6, 1035 |
| 1518141 | CIF | C13 H14 N2 O2 | P 1 21/c 1 | 11.6434; 10.03245; 20.857 90; 103.161; 90 | 2372.35 | Brachet, E.; Ghosh, T.; Ghosh, I.; König, B. Visible light C‒H amidation of heteroarenes with benzoyl azides Chem. Sci., 2015, 6, 987 |
| 1518142 | CIF | C13 H10 N2 O4 | P 1 21/n 1 | 8.3156; 9.9732; 14.574 90; 102.762; 90 | 1178.81 | Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications Chem. Sci., 2015, 6, 1043 |
| 1518143 | CIF | C13 H9 N2 O4 | P 1 21 1 | 8.3745; 10.0838; 14.5833 90; 103.496; 90 | 1197.51 | Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications Chem. Sci., 2015, 6, 1043 |
| 1518144 | CIF | C13 H9 F N2 O4 | P 1 21/c 1 | 7.24677; 14.8112; 11.0943 90; 99.3083; 90 | 1175.11 | Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications Chem. Sci., 2015, 6, 1043 |
| 1518145 | CIF | C13 H9 F N2 O4 | P 1 21 1 | 7.1667; 5.2718; 15.7374 90; 101.26; 90 | 583.14 | Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications Chem. Sci., 2015, 6, 1043 |
| 1518146 | CIF | C13 H9 F N2 O4 | P 1 21 1 | 7.1322; 5.2282; 15.7662 90; 101.237; 90 | 576.63 | Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications Chem. Sci., 2015, 6, 1043 |
| 1518147 | CIF | C13 H9 F N2 O4 | P 21 21 21 | 6.56098; 13.5445; 13.6122 90; 90; 90 | 1209.65 | Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications Chem. Sci., 2015, 6, 1043 |
| 1518148 | CIF | C12 H40 B4 N4 O6 | P 1 21/n 1 | 16.026; 8.7017; 17.485 90; 115.469; 90 | 2201.4 | Kalviri, Hassan A.; Gärtner, Felix; Ye, Gang; Korobkov, Ilia; Baker, R. Tom Probing the second dehydrogenation step in ammonia-borane dehydrocoupling: characterization and reactivity of the key intermediate, B-(cyclotriborazanyl)amine-borane Chem. Sci., 2015, 6, 618 |
| 1518149 | CIF | C4 H26 B4 N4 O2 | P -1 | 6.9419; 8.8077; 12.4471 91.79; 103.761; 111.731 | 680.64 | Kalviri, Hassan A.; Gärtner, Felix; Ye, Gang; Korobkov, Ilia; Baker, R. Tom Probing the second dehydrogenation step in ammonia-borane dehydrocoupling: characterization and reactivity of the key intermediate, B-(cyclotriborazanyl)amine-borane Chem. Sci., 2015, 6, 618 |
| 1518154 | CIF | C22 H22.5 B Cl Cr F4 N4.5 O3 | P b c n | 14.5572; 13.9044; 24.0822 90; 90; 90 | 4874.5 | Kotani, Hiroaki; Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko Formation and characterization of a reactive chromium(v)‒oxo complex: mechanistic insight into hydrogen-atom transfer reactions Chem. Sci., 2015, 6, 945 |
| 1518155 | CIF | C21 H20 B2 Cr F8 N5 O2 | P 1 21/c 1 | 9.683; 22.83; 11.317 90; 104.712; 90 | 2419.7 | Kotani, Hiroaki; Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko Formation and characterization of a reactive chromium(v)‒oxo complex: mechanistic insight into hydrogen-atom transfer reactions Chem. Sci., 2015, 6, 945 |
| 1518167 | CIF | C51 H99 K N2 O6 Si6 Th | P -1 | 12.1595; 12.7622; 22.2587 100.93; 104.448; 95.5814 | 3246.1 | Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state Chem. Sci., 2015, 6, 517 |
| 1518168 | CIF | C53 H103 K O8 Si6 Th | P 1 21/n 1 | 17.1884; 18.0161; 22.654 90; 99.6558; 90 | 6915.8 | Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state Chem. Sci., 2015, 6, 517 |
| 1518169 | CIF | C33 H63 Si6 Th | P 1 21/c 1 | 17.547; 13.6955; 19.1293 90; 112.595; 90 | 4244.2 | Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state Chem. Sci., 2015, 6, 517 |
| 1518170 | CIF | C30 H50 Si4 Th | C 1 2/c 1 | 20.2007; 8.1694; 19.9544 90; 91.3531; 90 | 3292.1 | Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state Chem. Sci., 2015, 6, 517 |
| 1518200 | CIF | C28 H20 N4 | P -1 | 7.8497; 10.7861; 14.7876 109.56; 91.8983; 111.312 | 1081.87 | Rijeesh, K.; Hashim, P. K.; Noro, Shin-ichiro; Tamaoki, Nobuyuki Dynamic induction of enantiomeric excess from a prochiral azobenzene dimer under circularly polarized light Chem. Sci., 2015, 6, 973 |
| 1518209 | CIF | C11 H7 Au Cl2 F N | P 1 21/c 1 | 9.1445; 7.8648; 15.71 90; 106.294; 90 | 1084.5 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
| 1518210 | CIF | C24 H18 Au F2 N | P -1 | 14.8527; 16.3867; 17.62 90.156; 91.414; 114.256 | 3908.3 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
| 1518211 | CIF | C27 H20 Au Cl2 F6 N | P -1 | 9.334; 11.4331; 12.8416 73.407; 81.938; 73.869 | 1258.9 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
| 1518212 | CIF | C24 H18 Au N3 O4 | P b c n | 11.1263; 14.1527; 26.2319 90; 90; 90 | 4130.7 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
| 1518213 | CIF | C28 H20 Au N S2 | I 41/a | 35.5669; 35.5669; 7.2973 90; 90; 90 | 9231.1 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
| 1518214 | CIF | C26 H24 Au N | P 1 21/n 1 | 7.5722; 16.2301; 16.7076 90; 93.349; 90 | 2049.8 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
| 1518215 | CIF | C30 H32 Au N O2 | C 1 2/c 1 | 19.4071; 15.6565; 19.6251 90; 112.078; 90 | 5525.8 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
| 1518216 | CIF | C18 H14 Au Cl F N | P 1 21/c 1 | 9.4066; 13.227; 13.1786 90; 110.251; 90 | 1538.3 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
| 1518217 | CIF | C22 H17 Au Cl N | P 1 21/c 1 | 10.34; 18.881; 9.579 90; 110.408; 90 | 1752.7 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
| 1518218 | CIF | C20.62 H17.23 Au Cl1.23 N O | P c a 21 | 22.3204; 11.4097; 7.0554 90; 90; 90 | 1796.79 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
| 1518232 | CIF | C48 H30 F6 O4 | C 1 2/c 1 | 13.07527; 16.18867; 19.01027 90; 100.1; 90 | 3961.57 | Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties Chem. Sci., 2015, 6, 1139 |
| 1518233 | CIF | C47 H28 Cl2 F6 O2 | P -1 | 12.5119; 12.6648; 14.9565 70.805; 66.621; 67.665 | 1967.5 | Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties Chem. Sci., 2015, 6, 1139 |
| 1518234 | CIF | C49 H25 Cl3 F12 O2 | P 1 21/c 1 | 12.8182; 35.815; 9.7626 90; 92.841; 90 | 4476.3 | Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties Chem. Sci., 2015, 6, 1139 |
| 1518242 | CIF | C81 H86 Cl6 N6 O8 Rh2 | P 21 21 21 | 13.919; 19.144; 28.616 90; 90; 90 | 7625 | Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci., 2015, 6, 1094 |
| 1518243 | CIF | C39 H40 Cl2 F6 N4 O2 P Rh | P 21 21 21 | 13.1445; 13.6427; 22.5166 90; 90; 90 | 4037.8 | Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci., 2015, 6, 1094 |
| 1518244 | CIF | C14 H18 N2 O5 | P 21 21 21 | 5.4571; 15.3289; 17.4084 90; 90; 90 | 1456.24 | Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci., 2015, 6, 1094 |
| 1518245 | CIF | C22 H26 N2 O4 | P 1 21/c 1 | 10.1905; 11.5731; 17.4203 90; 97.5045; 90 | 2036.88 | Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci., 2015, 6, 1094 |
| 1518246 | CIF | C51 H52 Cl4 F6 N4 O3 P Rh | P n a 21 | 17.7761; 22.9437; 13.1111 90; 90; 90 | 5347.4 | Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci., 2015, 6, 1094 |
| 1518247 | CIF | C47 H45 Cl2 Ir N4 O3 | C 1 2/c 1 | 38.9286; 13.3583; 17.0015 90; 111.479; 90 | 8227.1 | Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci., 2015, 6, 1094 |
| 1518248 | CIF | C98 H110 B Cl2 F20 N6 Nb2 | P 1 21/c 1 | 14.224; 21.737; 31.247 90; 90.83; 90 | 9660 | Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci., 2015, 6, 993 |
| 1518249 | CIF | C65 H66 B F20 N3 Nb O2 | P 1 21/c 1 | 18.1669; 17.1279; 19.7092 90; 90.559; 90 | 6132.4 | Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci., 2015, 6, 993 |
| 1518250 | CIF | C95 H110 B Cl9 F20 N6 Nb2 | P 1 21/c 1 | 20.744; 20.888; 22.683 90; 90.709; 90 | 9827.8 | Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci., 2015, 6, 993 |
| 1518251 | CIF | C61 H60 B Cl0 F20 N4 Nb | P 1 n 1 | 15.2666; 16.9177; 25.577 90; 97.658; 90 | 6547 | Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci., 2015, 6, 993 |
| 1518252 | CIF | C24 H28 B2 Cl6 Fe N8 O6 | C 1 2/c 1 | 24.287; 8.1945; 20.396 90; 120.269; 90 | 3505.8 | Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci., 2015, 6, 1004 |
| 1518253 | CIF | C31 H44 B2 Fe N8 O9 | P -1 | 10.435; 12.522; 14.568 110.05; 98.25; 92.93 | 1759.4 | Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci., 2015, 6, 1004 |
| 1518254 | CIF | C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6 | F 4 3 2 | 77.1812; 77.1812; 77.1812 90; 90; 90 | 459764 | Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci., 2015, 6, 1004 |
| 1518255 | CIF | C193 H230 B12 Fe6 N59 O53 Pd3 | P -1 | 24.07; 25.09; 26.26 111.25; 101.84; 110.6 | 12790 | Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci., 2015, 6, 1004 |
| 1518256 | CIF | C453.5 H476.75 B33.75 F9 Fe12 N100.75 O83.5 Pd6 | P -1 | 37.76; 37.914; 49.64 109.87; 111.57; 90.72 | 61382 | Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci., 2015, 6, 1004 |
| 1518257 | CIF | C350 H400 B24 Fe12 N105 O99 Pd6 | P -1 | 26.3697; 37.7311; 41.401 113.826; 96.68; 90.021 | 37375 | Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci., 2015, 6, 1004 |
| 1518278 | CIF | C20 H20 N2 O3 S | C 1 2/c 1 | 11.5572; 15.5085; 20.8957 90; 94.733; 90 | 3732.5 | Zhou, Ai-Hua; He, Qiao; Shu, Chao; Yu, Yong-Fei; Liu, Shuang; Zhao, Tian; Zhang, Wei; Lu, Xin; Ye, Long-Wu Atom-economic generation of gold carbenes: gold-catalyzed formal [3+2] cycloaddition between ynamides and isoxazoles Chem. Sci., 2015, 6, 1265 |
| 1518279 | CIF | C24 H20 N2 O2 | P 21 21 21 | 7.58; 13.2149; 18.5282 90; 90; 90 | 1855.95 | Hesping, Lena; Biswas, Anup; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Studer, Armido Stereoselective Lewis base catalyzed formal 1,3-dipolar cycloaddition of azomethine imines with mixed anhydrides Chem. Sci., 2015, 6, 1252 |
| 1518308 | CIF | C90 H64 F24 N14 P4 Ru2 | P -1 | 13.811; 18.252; 20.803 84.81; 82.76; 72.33 | 4949 | Cui, Bin-Bin; Mao, Zupan; Chen, Yuxia; Zhong, Yu-Wu; Yu, Gui; Zhan, Chuanlang; Yao, Jiannian Tuning of resistive memory switching in electropolymerized metallopolymeric films Chem. Sci., 2015, 6, 1308 |
| 1518338 | CIF | C36 H54 F18 N15 P3 Ru3 S9 | C 1 2 1 | 27.5079; 16.0629; 14.4082 90; 108.033; 90 | 6053.6 | Zubi, Ahmed; Wragg, Ashley; Turega, Simon; Adams, Harry; Costa, Paulo J.; Félix, Vítor; Thomas, Jim A. Modulating the electron-transfer properties of a mixed-valence system through host‒guest chemistry Chem. Sci., 2015, 6, 1334 |
| 1518339 | CIF | C15 H12 Au N O2 | P -1 | 7.3807; 11.755; 15.94 102.912; 92.025; 100.595 | 1320.8 | Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds Chem. Sci., 2015, 6, 1491 |
| 1518340 | CIF | C15 H12 Au N O2 | P -1 | 6.0552; 7.0297; 15.9689 96.315; 93.979; 90.279 | 673.93 | Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds Chem. Sci., 2015, 6, 1491 |
| 1518342 | CIF | C33 H27 Br N2 O4 | P 1 21 1 | 9.7143; 22.5934; 12.6641 90; 106.703; 90 | 2662.23 | Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci., 2015, 6, 1350 |
| 1518343 | CIF | C33 H28 N2 O4 | P 21 21 21 | 12.1648; 12.4912; 17.107 90; 90; 90 | 2599.46 | Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci., 2015, 6, 1350 |
| 1518344 | CIF | C24 H26 N2 O5 | P 1 | 6.25441; 12.592; 13.61853 100.755; 92.7028; 95.0674 | 1047.35 | Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci., 2015, 6, 1350 |
| 1518345 | CIF | C22 H22 N2 O5 | P 1 21 1 | 12.14306; 6.28576; 13.0165 90; 108.566; 90 | 941.82 | Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci., 2015, 6, 1350 |
| 1518346 | CIF | C8 H4 Cr2 O8 P2 | C m c a | 12.2545; 11.5949; 9.7196 90; 90; 90 | 1381.06 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518347 | CIF | C8 H4 O8 P2 W2 | C m c a | 12.4977; 12.0462; 10.1185 90; 90; 90 | 1523.3 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518348 | CIF | C7 H7 Cr2 O7 P3 | P -1 | 6.9134; 7.3239; 8.761 111.796; 92.15; 115.204 | 362.43 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518352 | CIF | C3 H3 Cl Cu N3 S3 | P a -3 | 11.70071; 11.70071; 11.70071 90; 90; 90 | 1601.9 | Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci., 2015, 6, 1465 |
| 1518353 | CIF | C3 H3 Cl Cu N3 S3 | P a -3 | 11.74713; 11.74713; 11.74713 90; 90; 90 | 1621.05 | Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci., 2015, 6, 1465 |
| 1518354 | CIF | C3 H3 Cl Cu N3 S3 | P a -3 | 11.78842; 11.78842; 11.78842 90; 90; 90 | 1638.2 | Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci., 2015, 6, 1465 |
| 1518355 | CIF | C32 H44 K N2 O13 Rh | C 1 c 1 | 13.6052; 19.6523; 14.3113 90; 105.559; 90 | 3686.2 | Murphy, Stephen K.; Bruch, Achim; Dong, Vy M. Mechanistic insights into hydroacylation with non-chelating aldehydes Chemical Science, 2015, 6, 174-180 |
| 1518358 | CIF | C18 H32 N4 Pd | P 1 21/c 1 | 9.5147; 8.7236; 12.2763 90; 96.21; 90 | 1012.98 | Hering, Florian; Nitsch, Jörn; Paul, Ursula; Steffen, Andreas; Bickelhaupt, F. Matthias; Radius, Udo Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands Chem. Sci., 2015, 6, 1426 |
| 1518359 | CIF | C28 H50 Cl4 N6 Pd | P -1 | 9.5437; 12.6519; 14.7569 81.229; 83.044; 81.137 | 1731.26 | Hering, Florian; Nitsch, Jörn; Paul, Ursula; Steffen, Andreas; Bickelhaupt, F. Matthias; Radius, Udo Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands Chem. Sci., 2015, 6, 1426 |
| 1518360 | CIF | C145 H149 Cl6 Cs3 N8 O14 | P -1 | 11.649; 18.299; 18.362 60.833; 80.132; 86.221 | 3366.6 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518361 | CIF | C74 H78 Cl6 Cs F N4 O8 | P -1 | 12.5824; 16.3849; 18.0859 89.08; 89.123; 70.854 | 3521.7 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518362 | CIF | C82 H92 N4 O12 | P -1 | 16.284; 21.681; 24.254 65.823; 87.933; 77.172 | 7602 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518363 | CIF | C75 H71 Cl3 N4 O12 | P 1 21/c 1 | 18.865; 17.828; 20.315 90; 107.064; 90 | 6532 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518364 | CIF | C81 H94 Cl6 F N5 O6 | P 1 21/n 1 | 18.1082; 20.262; 21.408 90; 105.284; 90 | 7577 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518365 | CIF | C78 H81 N7 O6 | P 1 21/n 1 | 19.8344; 17.7442; 20.5845 90; 109.128; 90 | 6844.6 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518366 | CIF | C74 H77 Cl4 Cs N4 O7 | P 1 2/n 1 | 28.4416; 17.3237; 28.5922 90; 90.135; 90 | 14087.7 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518367 | CIF | C74 H77 Cl3 Cs F N4 O7 | P 1 21/n 1 | 17.1643; 20.272; 20.1109 90; 99.129; 90 | 6909 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518368 | CIF | C163 H193 Cl6 F2 N10 O15 | P -1 | 17.7069; 19.2391; 27.8205 71.903; 75.381; 69.249 | 8315.5 | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci., 2015, 6, 1404 |
| 1518371 | CIF | C279.28 H164 N37 O100 | C 1 2/c 1 | 33.067; 14.8252; 17.1809 90; 121.19; 90 | 7205.1 | Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul Solid state organic amine detection in a photochromic porous metal organic framework Chem. Sci., 2015, 6, 1420 |
| 1518372 | CIF | C69 H35 Mg4 N7 O30 | P 1 2/c 1 | 34.3413; 10.0447; 17.7382 90; 96.234; 90 | 6082.6 | Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul Solid state organic amine detection in a photochromic porous metal organic framework Chem. Sci., 2015, 6, 1420 |
| 1518407 | CIF | C74 H86 N6 O3 | P -1 | 9.827; 16.9659; 21.6298 69.273; 81.505; 87.976 | 3335.2 | Slater, Anna G.; Hu, Ya; Yang, Lixu; Argent, Stephen P.; Lewis, William; Blunt, Matthew O.; Champness, Neil R. Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly Chem. Sci., 2015, 6, 1562 |
| 1518408 | CIF | C86 H92 Cl18 N6 O3 | P -1 | 15.4721; 16.3717; 19.0278 92.068; 110.731; 99.28 | 4426 | Slater, Anna G.; Hu, Ya; Yang, Lixu; Argent, Stephen P.; Lewis, William; Blunt, Matthew O.; Champness, Neil R. Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly Chem. Sci., 2015, 6, 1562 |
| 1518409 | CIF | C28 H20 N2 | P 21 21 21 | 5.9763; 11.5786; 29.273 90; 90; 90 | 2025.6 | Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission Chem. Sci., 2015, 6, 1932 |
| 1518410 | CIF | C40 H28 N2 | P -1 | 10.6571; 11.1264; 13.1685 88; 76.566; 74.575 | 1463.4 | Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission Chem. Sci., 2015, 6, 1932 |
| 1518411 | CIF | C42 H32 N2 O2 | P -1 | 11.1806; 11.4458; 12.861 101.527; 91.283; 99.274 | 1589.02 | Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission Chem. Sci., 2015, 6, 1932 |
| 1518412 | CIF | C32 H28 N2 O4 | P -1 | 9.768; 12.3063; 12.4687 68.542; 70.492; 88.089 | 1308.1 | Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission Chem. Sci., 2015, 6, 1932 |
| 1518432 | CIF | C6 H12 O6 | P 21 21 21 | 10.336; 14.852; 4.924 90; 90; 90 | 755.9 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518433 | CIF | C6 H12 O6 | P 21 21 21 | 10.26; 14.837; 4.8169 90; 90; 90 | 733.3 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518434 | CIF | C6 H12 O6 | P 21 21 21 | 10.22; 14.832; 4.7689 90; 90; 90 | 722.9 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518435 | CIF | C6 H12 O6 | P 21 21 21 | 10.218; 14.823; 4.7439 90; 90; 90 | 718.5 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518436 | CIF | C6 H12 O6 | P 21 21 21 | 10.181; 14.808; 4.693 90; 90; 90 | 707.5 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518437 | CIF | C6 H12 O6 | P 21 21 21 | 10.11; 14.808; 4.5801 90; 90; 90 | 685.7 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518438 | CIF | C6 H12 O6 | P 21 21 21 | 10.06; 14.798; 4.537 90; 90; 90 | 675.4 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518439 | CIF | C6 H12 O6 | P 21 21 21 | 10.05; 14.807; 4.4206 90; 90; 90 | 657.8 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518440 | CIF | C6 H12 O6 | P 21 21 21 | 10.04; 14.796; 4.3879 90; 90; 90 | 651.8 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518441 | CIF | C6 H12 O6 | P 21 21 21 | 10.056; 14.779; 4.275 90; 90; 90 | 635.3 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518442 | CIF | C6 H12 O6 | P 21 21 21 | 10.059; 14.776; 4.261 90; 90; 90 | 633.3 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518443 | CIF | C6 H12 O6 | P 21 21 21 | 10.063; 14.787; 4.256 90; 90; 90 | 633.3 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518444 | CIF | C6 H12 O6 | P 21 21 21 | 9.714; 14.99; 4.262 90; 90; 90 | 621 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518445 | CIF | C6 H12 O6 | P 21 21 21 | 9.73; 14.987; 4.234 90; 90; 90 | 617.4 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518446 | CIF | C6 H12 O6 | P 21 21 21 | 9.694; 14.931; 4.2234 90; 90; 90 | 611.3 | Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci., 2015, 6, 1991 |
| 1518447 | CIF | C67 F6 | P b c a | 9.9998; 20.6538; 31.3512 90; 90; 90 | 6475.1 | San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H. M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; Boltalina, Olga V.; Strauss, Steven H. A faux hawk fullerene with PCBM-like properties Chem. Sci., 2015, 6, 1801 |
| 1518448 | CIF | C60 H60 Li4 O5 Rb4 | C m c m | 14.166; 13.519; 25.901 90; 90; 90 | 4960 | Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A. Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts Chem. Sci., 2015, 6, 1959 |
| 1518449 | CIF | C66 H80 Li3 O12.5 Rb5 | P -1 | 10.064; 15.27; 22.129 90.416; 93.102; 94.532 | 3384.9 | Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A. Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts Chem. Sci., 2015, 6, 1959 |
| 1518450 | CIF | C28 H46 N4 O19 Tm | C 1 c 1 | 23.1686; 9.677; 16.8001 90; 118.272; 90 | 3317.3 | Funk, Alexander M.; Finney, Katie-Louise N. A.; Harvey, Peter; Kenwright, Alan M.; Neil, Emily R.; Rogers, Nicola J.; Kanthi Senanayake, P.; Parker, David Critical analysis of the limitations of Bleaney's theory of magnetic anisotropy in paramagnetic lanthanide coordination complexes Chem. Sci., 2015, 6, 1655 |
| 1518469 | CIF | C21 H10 Au B Cl10 N6 Pb | P -1 | 8.5794; 13.7444; 13.7913 110.805; 93.371; 101.13 | 1477.17 | Echeverría, Raquel; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena The gold(i)⋯lead(ii) interaction: a relativistic connection Chem. Sci., 2015, 6, 2022 |
| 1518476 | CIF | C14 H23 F6 O6 Pd Sb | P -1 | 9.539; 10.408; 11.253 115.767; 97.422; 91.945 | 992.6 | Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci., 2015, 6, 2172 |
| 1518477 | CIF | C15 H22 F6 N O6 Pd Sb | P n m a | 18.89; 16.805; 13.196 90; 90; 90 | 4189 | Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci., 2015, 6, 2172 |
| 1518478 | CIF | C22 H35 F6 O6 Pd Sb | P n a 21 | 16.758; 16.947; 9.5046 90; 90; 90 | 2699.3 | Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci., 2015, 6, 2172 |
| 1518479 | CIF | C17 H28 F6 N3 O10 Pd Sb | P 1 21/c 1 | 10.0271; 19.0026; 14.5138 90; 92.747; 90 | 2762.3 | Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci., 2015, 6, 2172 |
| 1518480 | CIF | C66 H86 Cl20 F24 O16 Pd4 Sb4 | P -1 | 16.4284; 19.3745; 21.4447 66.181; 88.434; 72.775 | 5930.9 | Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci., 2015, 6, 2172 |
| 1518496 | CIF | C34 H58 As4 Co2 | P 1 21/n 1 | 8.4386; 13.7676; 16.0276 90; 100.27; 90 | 1832.24 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518497 | CIF | C35 H60 As4 Cl2 Co2 | C 1 2/c 1 | 17.893; 19.9249; 11.6299 90; 107.903; 90 | 3945.5 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518498 | CIF | C68 H116 As10 Co4 | P -1 | 10.3921; 14.3707; 14.8262 62.53; 76.535; 79.819 | 1904.35 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518499 | CIF | C72 H124 As10 Cl8 Co4 | P -1 | 13.7956; 14.0892; 15.0382 62.971; 69.895; 61.292 | 2254 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518500 | CIF | C51 H87 As12 Co3 | C 1 2/c 1 | 28.9202; 15.7899; 29.9375 90; 112.752; 90 | 12607.1 | Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci., 2015, 6, 1379 |
| 1518501 | CIF | C23 H32 N2 Se | P n a 21 | 23.3; 7.0807; 11.6415 90; 90; 90 | 1920.6 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518502 | CIF | C15 H24 N2 Se | P 1 21/c 1 | 11.8147; 11.1443; 12.2088 90; 108.21; 90 | 1527 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518503 | CIF | C27 H48 N2 Se | P 1 21/n 1 | 14.4058; 7.4133; 25.023 90; 97.856; 90 | 2647.2 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518504 | CIF | C19 H20 N2 Se | P 1 2/n 1 | 8.3318; 7.4265; 13.6459 90; 98.798; 90 | 834.42 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518505 | CIF | C21 H24 N2 Se | P b c n | 16.043; 7.3937; 16.055 90; 90; 90 | 1904.4 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518506 | CIF | C35 H52 N2 Se | P 1 21/c 1 | 20.433; 7.6327; 21.563 90; 106.66; 90 | 3221.8 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518507 | CIF | C27 H34 Cl2 N2 Se | I 1 2/a 1 | 17.366; 9.4565; 21.295 90; 109.08; 90 | 3305 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518508 | CIF | C21 H26 N2 Se | P b c n | 15.9194; 7.4418; 16.1915 90; 90; 90 | 1918.2 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518509 | CIF | C11 H6 F5 N3 Se | P 1 21/c 1 | 9.3746; 15.527; 8.3524 90; 90.357; 90 | 1215.7 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518510 | CIF | C11 H11 N3 O Se | P -1 | 7.8283; 7.9731; 18.447 97.93; 94.637; 90.042 | 1136.6 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518511 | CIF | C21 H21 N3 O Se | P -1 | 8.5326; 10.637; 11.589 107.558; 101.546; 107.498 | 906.2 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518512 | CIF | C30 H35 N3 O Se Si | P b c a | 13.2692; 19.8926; 20.979 90; 90; 90 | 5537.6 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
| 1518526 | CIF | C12 H11 N O2 | P -1 | 4.00444; 11.1381; 12.202 71.955; 89.514; 80.992 | 510.62 | Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S. Increased carrier mobility in end-functionalized oligosilanes Chem. Sci., 2015, 6, 1905 |
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