Crystallography Open Database
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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 |
1518527 | CIF | C38 H48 N2 O4 | P 1 21/c 1 | 14.93217; 14.22602; 15.93712 90; 100.89; 90 | 3324.49 | 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 |
1518528 | CIF | C30 H40 N2 O4 Si4 | P -1 | 8.5558; 11.887; 17.0071 99.115; 92.129; 94.397 | 1700.67 | 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 |
1518529 | CIF | C34 H52 N2 O4 Si6 | P -1 | 8.6514; 11.8373; 20.4256 82.751; 87.339; 86.175 | 2068.9 | 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 |
1518530 | CIF | C152.05 H75.74 Cl2.21 F40 N12 S8 | P -1 | 18.9073; 20.7452; 21.091 67.38; 77.21; 65.257 | 6917.2 | Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro 5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents Chem. Sci., 2015, 6, 1696 |
1518531 | CIF | C87.05 H40.13 Cl3.96 F20 N6 S6 | C 1 2/c 1 | 49.998; 12.402; 35.242 90; 131.613; 90 | 16338 | Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro 5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents Chem. Sci., 2015, 6, 1696 |
1518532 | CIF | C95.3 H48 Cl2.3 F20 N6 O0.5 S8 | P -1 | 17.2734; 18.9028; 30.1289 105; 92.92; 107.23 | 8989 | Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro 5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents Chem. Sci., 2015, 6, 1696 |
1518536 | CIF | C18 H11 F6 N O3 | C 1 2/c 1 | 32.403; 6.8959; 15.25 90; 97.03; 90 | 3382 | Lu, Yi; Wang, Huai-Wei; Spangler, Jillian E.; Chen, Kai; Cui, Pei-Pei; Zhao, Yue; Sun, Wei-Yin; Yu, Jin-Quan Rh(iii)-catalyzed C‒H olefination of N-pentafluoroaryl benzamides using air as the sole oxidant Chem. Sci., 2015, 6, 1923 |
1518540 | CIF | C18 H33 N2 O8 S2 | P -1 | 7.8956; 9.6557; 14.916 77.311; 81.835; 86.214 | 1097.43 | Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci., 2015, 6, 2079 |
1518541 | CIF | C36 H66 N4 O16 S4 | I 1 2/c 1 | 19.4827; 7.7013; 30.1416 90; 101.758; 90 | 4427.61 | Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci., 2015, 6, 2079 |
1518542 | CIF | C28.7552 H49.5104 N8 O14 S4 | P -1 | 9.7673; 9.8143; 10.2046 94.88; 96.822; 95.184 | 962.76 | Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci., 2015, 6, 2079 |
1518545 | CIF | C14 H34 Cl Mo P3 | P 21 21 21 | 11.8282; 12.449; 13.6005 90; 90; 90 | 2002.7 | Neary, Michelle C.; Parkin, Gerard Dehydrogenation, disproportionation and transfer hydrogenation reactions of formic acid catalyzed by molybdenum hydride compounds Chem. Sci., 2015, 6, 1859 |
1518548 | CIF | C44.71 H22.16 Cl4 F14 N6 Na2 O7.22 | P -1 | 14.6741; 15.8676; 24.1918 91.946; 106.327; 115.228 | 4812.8 | Seifert, Sabine; Schmidt, David; Würthner, Frank An ambient stable core-substituted perylene bisimide dianion: isolation and single crystal structure analysis Chem. Sci., 2015, 6, 1663 |
1518587 | CIF | C56 H92 Cl2 Co2 I2 N4 P4 Ti2 | P b c a | 18.6991; 16.4217; 21.8753 90; 90; 90 | 6717.3 | Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes Chem. Sci., 2015, 6, 2044 |
1518588 | CIF | C31 H55 Cl Co N2 P3 Ti | P 1 21/n 1 | 9.0138; 18.8395; 21.5085 90; 90.54; 90 | 3652.3 | Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes Chem. Sci., 2015, 6, 2044 |
1518589 | CIF | C68 H104 Co2 I2 N4 O2 P4 Ti2 | P -1 | 12.5912; 13.4571; 13.5956 110.682; 94.623; 117.15 | 1835.07 | Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes Chem. Sci., 2015, 6, 2044 |
1518590 | CIF | C24 H16 Au2 F8 N4 O2 | P -1 | 3.5452; 14.0087; 14.249 109.292; 91.673; 91.322 | 667.23 | Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence Chem. Sci., 2015, 6, 2187 |
1518591 | CIF | C18 H4 Au2 F8 N4 | P -1 | 3.5707; 10.3087; 14.2742 107.689; 92.505; 100.205 | 489.99 | Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence Chem. Sci., 2015, 6, 2187 |
1518592 | CIF | C18 H4 Au2 F8 N4 | P 1 21/c 1 | 7.79058; 18.7202; 6.74157 90; 103.167; 90 | 957.35 | Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence Chem. Sci., 2015, 6, 2187 |
1518593 | CIF | C30 H51 Ir P2 | P -1 | 10.264; 16.311; 19.425 103.753; 105.008; 93.129 | 3027.6 | Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F. Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex Chem. Sci., 2015, 6, 2060 |
1518594 | CIF | C31 H55 Ir O P2 | P 1 21/c 1 | 17.003; 20.0591; 9.4403 90; 102.986; 90 | 3137.41 | Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F. Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex Chem. Sci., 2015, 6, 2060 |
1518595 | CIF | C24 H46 Cl Ir P2 | P 1 21/c 1 | 11.4108; 13.6574; 17.7933 90; 104.097; 90 | 2689.4 | Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F. Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex Chem. Sci., 2015, 6, 2060 |
1518596 | CIF | C34 H26 F4 P2 | P 1 21/n 1 | 9.2062; 16.7452; 17.6319 90; 101.286; 90 | 2665.6 | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci., 2015, 6, 2016 |
1518597 | CIF | C25 H22 F4 P2 | C 1 2 1 | 21.0973; 8.3882; 6.3567 90; 102.383; 90 | 1098.76 | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci., 2015, 6, 2016 |
1518598 | CIF | C58 H26 B F21 P2 | P 1 21 1 | 8.4256; 21.123; 13.804 90; 95.055; 90 | 2447.2 | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci., 2015, 6, 2016 |
1518599 | CIF | C59.25 H28.5 B Cl2.5 F23 P2 | P 1 21/c 1 | 18.8002; 17.1372; 17.8001 90; 102.564; 90 | 5597.6 | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci., 2015, 6, 2016 |
1518609 | CIF | C35 H28 F6 N3 P S2 Se4 | P 1 21/n 1 | 19.6176; 7.5992; 25.2231 90; 93.7263; 90 | 3752.3 | Bedics, Matthew A.; Kearns, Hayleigh; Cox, Jordan M.; Mabbott, Sam; Ali, Fatima; Shand, Neil C.; Faulds, Karen; Benedict, Jason B.; Graham, Duncan; Detty, Michael R. Extreme red shifted SERS nanotags Chem. Sci., 2015, 6, 2302 |
1518610 | CIF | C20 H14 | P -1 | 9.6321; 11.0943; 14.7022 67.862; 79.883; 69.219 | 1359 | Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank C‒H arylation of triphenylene, naphthalene and related arenes using Pd/C Chem. Sci., 2015, 6, 1816 |
1518611 | CIF | C24 H16 | P 1 21/c 1 | 19.1157; 5.7556; 29.6669 90; 108.002; 90 | 3104.2 | Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank C‒H arylation of triphenylene, naphthalene and related arenes using Pd/C Chem. Sci., 2015, 6, 1816 |
1518661 | CIF | C64 H48 S4 | P 1 21/n 1 | 20.159; 5.0166; 25.728 90; 109.164; 90 | 2457.7 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
1518662 | CIF | C65 H50 S4 | P 1 21/n 1 | 20.1; 5.1652; 25.159 90; 109.501; 90 | 2462.2 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
1518663 | CIF | C68 H56 Cl2 S4 | P 1 21/c 1 | 7.6706; 17.4871; 20.506 90; 100.272; 90 | 2706.5 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
1518664 | CIF | C66 H52 S4 | P 1 21/n 1 | 21.43; 5.2798; 24.95 90; 111.599; 90 | 2624.8 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
1518665 | CIF | C66 H52 S4 | P 1 21/n 1 | 20.0834; 5.2324; 24.6005 90; 109.019; 90 | 2444.01 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
1518666 | CIF | C8 H16 F7 O6 P2 S2 Sb | P 1 21/n 1 | 14.5029; 8.9034; 14.9927 90; 97.26; 90 | 1920.41 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
1518667 | CIF | C43 H71 F9 N3 O9 P3 S3 Sb4 | P -1 | 11.4789; 11.9874; 26.0864 91.82; 97.564; 112.074 | 3284.57 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
1518668 | CIF | C29 H61.5 F12 N0.5 O12 P4 S4 Sb4 | P 1 21/c 1 | 23.986; 21.83; 22.193 90; 106.57; 90 | 11138 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
1518669 | CIF | C31 H41 F6 N2 O6 S2 Sb | P 1 21/c 1 | 12.3127; 17.4575; 17.0214 90; 91.03; 90 | 3658.1 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
1518670 | CIF | C4 H9 F4 O3 P S | P 1 21/m 1 | 10.2147; 8.6511; 11.0323 90; 94.5503; 90 | 971.83 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
1518671 | CIF | C14 H30 F6 O6 P2 S2 | P 1 21/n 1 | 13.4271; 11.8532; 15.7504 90; 110.993; 90 | 2340.4 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
1518672 | CIF | C27 H24 Cl5 F6 N5 O P2 Ru | P -1 | 11.1445; 12.0548; 14.8726 67.197; 84.942; 67.025 | 1691.09 | Walden, Andrew G.; Miller, Alexander J. M. Rapid water oxidation electrocatalysis by a ruthenium complex of the tripodal ligand tris(2-pyridyl)phosphine oxide Chem. Sci., 2015, 6, 2405 |
1518676 | CIF | C17 H25 N O2 Si | P 1 21/n 1 | 7.8451; 10.8055; 41.681 90; 92.188; 90 | 3530.7 | Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams Chem. Sci., 2015, 6, 2275 |
1518677 | CIF | C19 H19 Cl2 N O S | P 1 21/c 1 | 9.4678; 22.465; 8.4857 90; 94.892; 90 | 1798.3 | Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams Chem. Sci., 2015, 6, 2275 |
1518714 | CIF | C14 H26 Cl3 N4 O P Ru | P 1 21/n 1 | 6.9163; 23.66; 11.8396 90; 97.078; 90 | 1922.7 | Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G. Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action Chem. Sci., 2015, 6, 2449 |
1518715 | CIF | C15 H23 Cl2 N4 O P Ru | P -1 | 10.5379; 12.8283; 13.7451 100.766; 97.279; 91.491 | 1808.34 | Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G. Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action Chem. Sci., 2015, 6, 2449 |
1518716 | CIF | C42 H55 Cl2 N5 O10 | C 1 2 1 | 25.187; 8.1556; 21.154 90; 99.308; 90 | 4288.1 | Rose, Tristan E.; Lawson, Kenneth V.; Harran, Patrick. G. Large ring-forming alkylations provide facile access to composite macrocycles Chem. Sci., 2015, 6, 2219 |
1518727 | CIF | C53 H53 F3 N4 O3 P2 S | C 1 c 1 | 24.05898; 12.60445; 17.26646 90; 109.899; 90 | 4923.42 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
1518728 | CIF | C67 H72 Cl Ir N4 P2 | P -1 | 11.53121; 15.09347; 16.48026 91.4726; 100.955; 90.9436 | 2814.45 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
1518729 | CIF | C54 H52 Cl Ir N4 O2 P2 | R -3 | 30.1754; 30.1754; 27.5094 90; 90; 120 | 21692.9 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
1518730 | CIF | C71.5 H80 Cl2 Ir2 N4 P2 | P -1 | 13.28816; 15.4534; 18.6095 66.4438; 87.7181; 64.8361 | 3131.28 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
1518731 | CIF | C55.5 H62 Au2 Cl3 Ir N4 P2 | P 1 21/c 1 | 12.88426; 13.46559; 30.9781 90; 99.5872; 90 | 5299.46 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
1518738 | CIF | C19.5 H18.5 As3 Cl6.5 S6 | P n m a | 20.703; 9.885; 14.702 90; 90; 90 | 3008.8 | Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci., 2015, 6, 2444 |
1518739 | CIF | C24 H24 Cl3 S6 Sb3 | R -3 c :H | 14.2066; 14.2066; 33.41 90; 90; 120 | 5839.7 | Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci., 2015, 6, 2444 |
1518740 | CIF | C36 H42 As3 Cl3 S6 | P -1 | 10.0055; 12.424; 16.522 81.285; 88.456; 84.579 | 2020.9 | Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci., 2015, 6, 2444 |
1518741 | CIF | C30 H42 As3 Cl3 S6 | R -3 :H | 16.413; 16.413; 23.8 90; 90; 120 | 5552.4 | Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci., 2015, 6, 2444 |
1518742 | CIF | C24 H30 Cl3 S6 Sb3 | P 1 21/n 1 | 16.0971; 11.4604; 16.3368 90; 91.867; 90 | 3012.2 | Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci., 2015, 6, 2444 |
1518743 | CIF | C30 H42 Cl3 S6 Sb3 | R -3 :H | 16.458; 16.458; 23.9449 90; 90; 120 | 5616.9 | Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci., 2015, 6, 2444 |
1518744 | CIF | C32 H30 N8 O5 Zn4 | P 42/m c m | 11.5382; 11.5382; 25.813 90; 90; 90 | 3436.5 | Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications Chem. Sci., 2015, 6, 2516 |
1518745 | CIF | C34 H32 N8 O5 Zn4 | P 42/m c m | 11.517; 11.517; 34.474 90; 90; 90 | 4573 | Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications Chem. Sci., 2015, 6, 2516 |
1518753 | CIF | C37 H31 Cu F12 N4 | P -1 | 12.1667; 12.1867; 13.5954 81.549; 77.873; 65.444 | 1788.5 | Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal‒ligand interactions Chem. Sci., 2015, 6, 2474 |
1518754 | CIF | C16 H6 F12 N2 | I 41/a :2 | 36.71; 36.71; 4.9148 90; 90; 90 | 6623.3 | Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal‒ligand interactions Chem. Sci., 2015, 6, 2474 |
1518755 | CIF | C18 H27 Au B Cl N2 O2 | P 1 21/n 1 | 11.295; 10.512; 16.9583 90; 102.328; 90 | 1967.1 | Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci., 2015, 6, 2893 |
1518756 | CIF | C53 H79 Au B Cl N4 O4 | P 1 21/c 1 | 15.396; 14.4925; 24.966 90; 100.935; 90 | 5469.4 | Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci., 2015, 6, 2893 |
1518757 | CIF | C19 H27 B F3 Li N2 O5 S | P -1 | 5.9513; 10.9562; 17.3953 96.176; 93.242; 97.646 | 1114.73 | Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci., 2015, 6, 2893 |
1518758 | CIF | C26 H39 B Cl N2 O2 Rh | P 1 21/c 1 | 16.46; 13.8072; 11.9483 90; 104.628; 90 | 2627.4 | Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci., 2015, 6, 2893 |
1518759 | CIF | C33 H47 B Cl Ir N2 O2 | C 1 2/c 1 | 35.4699; 10.667; 18.1337 90; 115.404; 90 | 6197.6 | Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci., 2015, 6, 2893 |
1518761 | CIF | C25 H23 F12 Fe2 O10 | P -1 | 9.507; 11.729; 16.605 102.703; 96.771; 112.595 | 1625 | Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci., 2015, 6, 2835 |
1518762 | CIF | C35 H25 F24 Fe3 O14 | P 1 21 1 | 9.7834; 20.8414; 12.0955 90; 102.57; 90 | 2407.2 | Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci., 2015, 6, 2835 |
1518763 | CIF | C35 H25 F24 Fe3 O14 | P 1 21 1 | 9.7979; 20.819; 12.0998 90; 102.659; 90 | 2408.2 | Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci., 2015, 6, 2835 |
1518764 | CIF | C35 H19 F30 Fe3 O14 | C 1 2/c 1 | 20.934; 13.481; 17.739 90; 92.848; 90 | 5000 | Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci., 2015, 6, 2835 |
1518765 | CIF | C25 H23 F12 Fe Mn O10 | P -1 | 9.464; 11.8255; 16.508 102.022; 97.859; 112.682 | 1618.3 | Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci., 2015, 6, 2835 |
1518766 | CIF | C35 H25 F24 Fe Ni2 O14 | P 1 21 1 | 9.7682; 20.7583; 12.0575 90; 103.126; 90 | 2381 | Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci., 2015, 6, 2835 |
1518779 | CIF | C38 H34 Cl2 Ir N P2 | I b a m | 30.868; 17.517; 24.155 90; 90; 90 | 13061 | Liu, Chong; Xie, Jian-Hua; Tian, Gui-Long; Li, Wei; Zhou, Qi-Lin Highly efficient hydrogenation of carbon dioxide to formate catalyzed by iridium(iii) complexes of imine‒diphosphine ligands Chem. Sci., 2015, 6, 2928 |
1518780 | CIF | Ga1.67 O10 P2.5 Zn0.83 | C 1 2/m 1 | 16.767; 19.047; 10.248 90; 127.038; 90 | 2612.5 | Wu, Junbiao; Tao, Chunyao; Li, Yi; Li, Jiyang; Yu, Jihong Methyl viologen-templated zinc gallophosphate zeolitic material with dual photo-/thermochromism and tuneable photovoltaic activity Chem. Sci., 2015, 6, 2922 |
1518781 | CIF | C63 H59 B F29 Fe N3 P2 | P -1 | 12.7767; 13.894; 38.0545 90.4567; 92.9881; 96.475 | 6702.5 | Darmon, Jonathan M.; Kumar, Neeraj; Hulley, Elliott B.; Weiss, Charles J.; Raugei, Simone; Bullock, R. Morris; Helm, Monte L. Increasing the rate of hydrogen oxidation without increasing the overpotential: a bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay Chem. Sci., 2015, 6, 2737 |
1518782 | CIF | C38 H55 Co N2 O4 | P 1 21/n 1 | 17.569; 10.302; 19.781 90; 100.629; 90 | 3518.8 | Zhao, Yaguang; Yu, Mengmeng; Zhang, Shuailin; Wu, Zhenqiang; Liu, Yuchu; Peng, Chi-How; Fu, Xuefeng A well-defined, versatile photoinitiator (salen)Co‒CO2CH3for visible light-initiated living/controlled radical polymerization Chem. Sci., 2015, 6, 2979 |
1518784 | CIF | C16 H29 B I N3 | C 1 2/c 1 | 17.3182; 19.7092; 12.0924 90; 120.773; 90 | 3546.3 | Chauvier, Clément; Tlili, Anis; Das Neves Gomes, Christophe; Thuéry, Pierre; Cantat, Thibault Metal-free dehydrogenation of formic acid to H2and CO2using boron-based catalysts Chem. Sci., 2015, 6, 2938 |
1518785 | CIF | C17 H30 B N3 O4 | P 21 21 21 | 7.1546; 12.8526; 20.4294 90; 90; 90 | 1878.59 | Chauvier, Clément; Tlili, Anis; Das Neves Gomes, Christophe; Thuéry, Pierre; Cantat, Thibault Metal-free dehydrogenation of formic acid to H2and CO2using boron-based catalysts Chem. Sci., 2015, 6, 2938 |
1518786 | CIF | C23 H17 N | P n a 21 | 7.4701; 19.7919; 11.1894 90; 90; 90 | 1654.32 | Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci., 2015, 6, 2843 |
1518787 | CIF | C58 H46 F6 Ir N4 O P | P n a 21 | 13.128; 37.8916; 10.29 90; 90; 90 | 5118.7 | Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci., 2015, 6, 2843 |
1518788 | CIF | C44 H32 F6 Ir N4 P | P 1 21/n 1 | 15.0877; 13.1747; 18.093 90; 96.094; 90 | 3576.1 | Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci., 2015, 6, 2843 |
1518789 | CIF | C76 H60 F6 Ir N4 P | P -1 | 10.8073; 13.5065; 20.8777 80.953; 86.577; 78.797 | 2950.9 | Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci., 2015, 6, 2843 |
1518821 | CIF | C65 H80 Au N O | P -1 | 11.6132; 14.7425; 16.9669 87.393; 71.112; 80.062 | 2707 | Ming Tong, Glenna So; Chan, Kaai Tung; Chang, Xiaoyong; Che, Chi-Ming Theoretical studies on the photophysical properties of luminescent pincer gold(iii) arylacetylide complexes: the role of π-conjugation at the C-deprotonated [C^N^C] ligand Chem. Sci., 2015, 6, 3026 |
1518822 | CIF | C35 H34 Au B Mn O2 P | P -1 | 10.071; 11.844; 13.4 86.394; 79.387; 74.371 | 1512.8 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
1518823 | CIF | C43 H40 Au B Mn O2 P | C 1 2/c 1 | 41.848; 10.898; 15.941 90; 91.024; 90 | 7269 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
1518824 | CIF | C30 H29 Au B Mn N O2 P S | P 1 21/n 1 | 13.491; 13.559; 16.412 90; 101.959; 90 | 2937 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
1518825 | CIF | C46 H40 Au B3 Cl8 Mn2 O4 | P 1 21/c 1 | 18.435; 33.798; 17.288 90; 113.832; 90 | 9853 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
1518826 | CIF | C98 H85 Ag2 B6 Cl16 F Mn4 O8 | P -1 | 12.2946; 13.8214; 16.0619 88.083; 67.993; 83.916 | 2516.2 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
1518827 | CIF | C53 H48 Ag B3 Cl8 Mn2 O4 | P 1 21/n 1 | 11.184; 36.556; 13.609 90; 93.434; 90 | 5554 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
1518828 | CIF | C46 H40 Ag B3 Cl8 Mn2 O4 | P 1 21/c 1 | 18.444; 33.901; 17.285 90; 113.909; 90 | 9880 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
1518829 | CIF | C53 H48 B3 Cl8 Cu Mn2 O4 | P 1 21/n 1 | 11.0743; 36.198; 13.711 90; 93.21; 90 | 5488 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
1518830 | CIF | C55 H50 B3 Cl12 Cu2 Mn3 O6 | P -1 | 11.952; 14.576; 20.573 70.672; 73.21; 68.233 | 3084 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
1518831 | CIF | C67 H62 B3 Cl8 Cu2 Mn3 O6 | P -1 | 11.301; 14.461; 21.311 97.172; 96.19; 102.139 | 3345.8 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
1518832 | CIF | C75 H50 Au B F24 P2 | P -1 | 12.38; 15.772; 18.327 83.065; 74.699; 81.63 | 3402.1 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
1518843 | CIF | C22 H23 N O3 | P 1 21/n 1 | 6.0325; 20.594; 14.3515 90; 97.425; 90 | 1768 | Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans Chem. Sci., 2015, 6, 2903 |
1518844 | CIF | C25 H27 N O3 | P 1 21/n 1 | 10.6026; 12.0053; 16.5199 90; 105.806; 90 | 2023.27 | Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans Chem. Sci., 2015, 6, 2903 |
1518845 | CIF | C24 H25 N O3 | P 1 21/c 1 | 19.6584; 6.7792; 14.62 90; 104.609; 90 | 1885.39 | Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans Chem. Sci., 2015, 6, 2903 |
1518846 | CIF | C10 H9 Br Cl N O2 | P 1 21 1 | 5.928; 7.6682; 11.3533 90; 95.944; 90 | 513.31 | Zhu, Cheng-Liang; Tian, Jun-Shan; Gu, Zhen-Yuan; Xing, Guo-Wen; Xu, Hao Iron(ii)-catalyzed asymmetric intramolecular olefin aminochlorination using chloride ion Chem. Sci., 2015, 6, 3044 |
1518866 | CIF | C11 H9 Dy N3 O6 | P 1 21/c 1 | 13.672; 7.313; 12.481 90; 94.296; 90 | 1244.4 | Yin, Dan-Dan; Chen, Qi; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song Slow magnetic relaxation in a novel carboxylate/oxalate/hydroxyl bridged dysprosium layer Chem. Sci., 2015, 6, 3095 |
1518867 | CIF | C11 H9 N3 O6 Y | P 1 21/c 1 | 13.655; 7.278; 12.428 90; 94.424; 90 | 1231.4 | Yin, Dan-Dan; Chen, Qi; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song Slow magnetic relaxation in a novel carboxylate/oxalate/hydroxyl bridged dysprosium layer Chem. Sci., 2015, 6, 3095 |
1518869 | CIF | C42 H34 N6 O10 | P -1 | 8.8838; 20.6864; 22.5136 68.276; 78.717; 89.509 | 3760 | Martinez-Cuezva, Alberto; Pastor, Aurelia; Cioncoloni, Giacomo; Orenes, Raul-Angel; Alajarin, Mateo; Symes, Mark D.; Berna, Jose Versatile control of the submolecular motion of di(acylamino)pyridine-based [2]rotaxanes Chem. Sci., 2015, 6, 3087 |
1518870 | CIF | C67 H57.75 N7 O7 | P -1 | 10.4583; 13.5669; 19.947 76.564; 75.557; 80.757 | 2649.9 | Martinez-Cuezva, Alberto; Pastor, Aurelia; Cioncoloni, Giacomo; Orenes, Raul-Angel; Alajarin, Mateo; Symes, Mark D.; Berna, Jose Versatile control of the submolecular motion of di(acylamino)pyridine-based [2]rotaxanes Chem. Sci., 2015, 6, 3087 |
1518871 | CIF | C31 H22 O S | P 1 21 1 | 5.594; 47.1662; 9.2545 90; 103.425; 90 | 2375.06 | Xu, Bingjia; He, Jiajun; Mu, Yingxiao; Zhu, Qiangzhong; Wu, Sikai; Wang, Yifan; Zhang, Yi; Jin, Chongjun; Lo, Changcheng; Chi, Zhenguo; Lien, Alan; Liu, Siwei; Xu, Jiarui Very bright mechanoluminescence and remarkable mechanochromism using a tetraphenylethene derivative with aggregation-induced emission Chem. Sci., 2015, 6, 3236 |
1518875 | CIF | C42 H84 N0 O26 Zn8 | C 1 2/c 1 | 22.502; 12.882; 21.773 90; 98.995; 90 | 6233.7 | Kubisiak, Marcin; Zelga, Karolina; Bury, Wojciech; Justyniak, Iwona; Budny-Godlewski, Krzysztof; Ochal, Zbigniew; Lewiński, Janusz Development of zinc alkyl/air systems as radical initiators for organic reactions Chem. Sci., 2015, 6, 3102 |
1518876 | CIF | C38 H64 O26 Zn8 | P -1 | 9.5731; 10.8542; 13.0771 77.371; 83.044; 80.914 | 1304.01 | Kubisiak, Marcin; Zelga, Karolina; Bury, Wojciech; Justyniak, Iwona; Budny-Godlewski, Krzysztof; Ochal, Zbigniew; Lewiński, Janusz Development of zinc alkyl/air systems as radical initiators for organic reactions Chem. Sci., 2015, 6, 3102 |
1518882 | CIF | C82.5 H86 B Cr F24 N2 | P -1 | 13.468; 14.272; 20.836 85.98; 89.96; 87.39 | 3991 | Samuel, Prinson P.; Neufeld, Roman; Chandra Mondal, Kartik; Roesky, Herbert W.; Herbst-Irmer, Regine; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Rojisha, Vallyanga Chalil; De, Susmita; Parameswaran, Pattiyil; Stückl, A. Claudia; Kaim, Wolfgang; Christian, Jonathan H.; Bindra, Jasleen K.; Dalal, Naresh S. Cr(i)Cl as well as Cr+are stabilised between two cyclic alkyl amino carbenes Chem. Sci., 2015, 6, 3148 |
1518883 | CIF | C40 H62 Cl2 Cr N2 | C 1 2/c 1 | 16.958; 10.973; 22.073 90; 108.91; 90 | 3885.7 | Samuel, Prinson P.; Neufeld, Roman; Chandra Mondal, Kartik; Roesky, Herbert W.; Herbst-Irmer, Regine; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Rojisha, Vallyanga Chalil; De, Susmita; Parameswaran, Pattiyil; Stückl, A. Claudia; Kaim, Wolfgang; Christian, Jonathan H.; Bindra, Jasleen K.; Dalal, Naresh S. Cr(i)Cl as well as Cr+are stabilised between two cyclic alkyl amino carbenes Chem. Sci., 2015, 6, 3148 |
1518884 | CIF | C47 H70 Cl Cr N2 | P -1 | 9.636; 12.053; 19.94 102.29; 95.37; 106.71 | 2137.4 | Samuel, Prinson P.; Neufeld, Roman; Chandra Mondal, Kartik; Roesky, Herbert W.; Herbst-Irmer, Regine; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Rojisha, Vallyanga Chalil; De, Susmita; Parameswaran, Pattiyil; Stückl, A. Claudia; Kaim, Wolfgang; Christian, Jonathan H.; Bindra, Jasleen K.; Dalal, Naresh S. Cr(i)Cl as well as Cr+are stabilised between two cyclic alkyl amino carbenes Chem. Sci., 2015, 6, 3148 |
1518906 | CIF | C34 H18 O2 | C 1 2 1 | 13.707; 6.3468; 13.269 90; 103.472; 90 | 1122.6 | Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties Chem. Sci., 2015, 6, 3402 |
1518907 | CIF | C34 H16 O2 | P b c n | 18.9562; 15.493; 14.8168 90; 90; 90 | 4351.5 | Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties Chem. Sci., 2015, 6, 3402 |
1518908 | CIF | C59 H61 Si2 | P b c a | 34.006; 7.6167; 36.832 90; 90; 90 | 9540 | Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties Chem. Sci., 2015, 6, 3402 |
1518942 | CIF | C26 H40 O5 Si | P 1 21 1 | 6.7367; 22.9731; 16.5877 90; 90.862; 90 | 2566.9 | Mukai, Ken; Kasuya, Satoshi; Nakagawa, Yuki; Urabe, Daisuke; Inoue, Masayuki A convergent total synthesis of ouabagenin Chem. Sci., 2015, 6, 3383 |
1518943 | CIF | C18 H30 O5 Si | P 1 21 1 | 11.0079; 6.36439; 13.7975 90; 110.712; 90 | 904.16 | Mukai, Ken; Kasuya, Satoshi; Nakagawa, Yuki; Urabe, Daisuke; Inoue, Masayuki A convergent total synthesis of ouabagenin Chem. Sci., 2015, 6, 3383 |
1518946 | CIF | C11 H9 F3 N2 O | P -1 | 11.5587; 11.8263; 17.672 92.233; 102.972; 108.187 | 2220.9 | Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers Chem. Sci., 2015, 6, 3415 |
1518947 | CIF | C10 H9 F3 N2 O | P 1 21 1 | 9.0634; 5.8062; 9.8369 90; 90.567; 90 | 517.63 | Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers Chem. Sci., 2015, 6, 3415 |
1518948 | CIF | C17 H15 F3 N2 O | P 21 21 21 | 5.7467; 9.4574; 27.5934 90; 90; 90 | 1499.67 | Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers Chem. Sci., 2015, 6, 3415 |
1518949 | CIF | C46 H46 N2 S2 | P 1 21/c 1 | 23.6399; 5.207; 15.042 90; 107.545; 90 | 1765.4 | He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors Chem. Sci., 2015, 6, 3180 |
1518950 | CIF | C42 H42 N2 S4 | R -3 :H | 43.2109; 43.2109; 5.0578 90; 90; 120 | 8178.6 | He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors Chem. Sci., 2015, 6, 3180 |
1518951 | CIF | C46 H46 N2 O2 | P 1 21/c 1 | 15.3148; 5.2027; 21.5181 90; 93.605; 90 | 1711.13 | He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors Chem. Sci., 2015, 6, 3180 |
1518952 | CIF | C34 H36 Cl2 Mo2 N6 O4 | P 1 21/c 1 | 12.536; 12.3769; 13.069 90; 115.499; 90 | 1830.2 | Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes Chem. Sci., 2015, 6, 3434 |
1518953 | CIF | C62 H102 Cl4 Mo2 N6 O4 | P 1 21/n 1 | 12.6064; 14.1061; 19.183 90; 101.372; 90 | 3344.3 | Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes Chem. Sci., 2015, 6, 3434 |
1518954 | CIF | C48 H69 Cl4 Mo2 N6 O4 | P -1 | 12.142; 13.615; 17.274 78.896; 84.467; 69.112 | 2616.8 | Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes Chem. Sci., 2015, 6, 3434 |
1518955 | CIF | C34 H36 Cl4 Mo2 N6 O4 | P 1 21/c 1 | 11.752; 15.014; 11.14 90; 109.276; 90 | 1855.4 | Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes Chem. Sci., 2015, 6, 3434 |
1518956 | CIF | C216 H130 N12 O32 Zr6 | P m -3 m | 25.4376; 25.4376; 25.4376 90; 90; 90 | 16459.9 | Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses Chem. Sci., 2015, 6, 3466 |
1518957 | CIF | C216 H124 Cu3 N12 O32 Zr6 | P m -3 m | 25.4213; 25.4213; 25.4213 90; 90; 90 | 16428.3 | Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses Chem. Sci., 2015, 6, 3466 |
1518958 | CIF | C216 H130 Hf6 N12 O32 | P m -3 m | 25.3976; 25.3976; 25.3976 90; 90; 90 | 16382.4 | Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses Chem. Sci., 2015, 6, 3466 |
1518959 | CIF | C216 H124 Cu3 Hf6 N12 O32 | P m -3 m | 25.357; 25.357; 25.357 90; 90; 90 | 16304 | Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses Chem. Sci., 2015, 6, 3466 |
1518983 | CIF | C40 H28 | P 1 21/c 1 | 9.0462; 22.0677; 14.1102 90; 91.134; 90 | 2816.25 | He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes Chem. Sci., 2015, 6, 3538 |
1518984 | CIF | C45 H31 Cl3 | P 1 21/n 1 | 9.6681; 17.2389; 20.8625 90; 90.222; 90 | 3477.07 | He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes Chem. Sci., 2015, 6, 3538 |
1518985 | CIF | C48 H32 | C 1 2/c 1 | 28.4; 12.0889; 20.7374 90; 110.271; 90 | 6678.7 | He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes Chem. Sci., 2015, 6, 3538 |
1518986 | CIF | C44 H30 | P 1 21 1 | 9.2686; 7.5344; 22.0069 90; 91.349; 90 | 1536.39 | He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes Chem. Sci., 2015, 6, 3538 |
1518987 | CIF | C93 H95 N2 P Pd | P 1 21/n 1 | 14.1659; 25.5435; 20.2558 90; 95.695; 90 | 7293.3 | Henwood, Adam F.; Lesieur, Mathieu; Bansal, Ashu K.; Lemaur, Vincent; Beljonne, David; Thompson, David G.; Graham, Duncan; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Cazin, Catherine S. J.; Zysman-Colman, Eli Palladium(0) NHC complexes: a new avenue to highly efficient phosphorescence Chem. Sci., 2015, 6, 3248 |
1518988 | CIF | C54 H76 N4 Pd | P 1 21/n 1 | 12.889; 27.082; 14.073 90; 92.483; 90 | 4908 | Henwood, Adam F.; Lesieur, Mathieu; Bansal, Ashu K.; Lemaur, Vincent; Beljonne, David; Thompson, David G.; Graham, Duncan; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Cazin, Catherine S. J.; Zysman-Colman, Eli Palladium(0) NHC complexes: a new avenue to highly efficient phosphorescence Chem. Sci., 2015, 6, 3248 |
1519000 | CIF | C136 H142 N4 Ni O2 | P -1 | 12.8361; 15.5717; 15.9281 100.921; 109.976; 108.18 | 2682 | Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan Phenalenyl-fused porphyrins with different ground states Chem. Sci., 2015, 6, 2427 |
1519001 | CIF | C136 H142 N4 Ni O2 | P -1 | 12.85; 15.5881; 15.9283 100.951; 110.033; 108.118 | 2687.2 | Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan Phenalenyl-fused porphyrins with different ground states Chem. Sci., 2015, 6, 2427 |
1519002 | CIF | C85.5 H87 N5 Ni | P -1 | 15.0498; 15.6708; 17.4668 111.901; 107.076; 102.416 | 3400.2 | Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan Phenalenyl-fused porphyrins with different ground states Chem. Sci., 2015, 6, 2427 |
1519367 | CIF | C10 H10 Cl I N2 O4 | P 1 21/n 1 | 12.2849; 16.0628; 14.7939 90; 113.273; 90 | 2681.74 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519368 | CIF | C10 H10 F6 I N2 P | C 1 2/m 1 | 13.6827; 6.7491; 8.4045 90; 106.045; 90 | 745.89 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519369 | CIF | C10 H10 F6 I N2 Sb | P -1 | 6.9674; 7.1797; 7.7358 91.775; 101.402; 96.682 | 376.18 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519370 | CIF | C11 H10 F3 I N2 O3 S | P -1 | 7.0091; 10.6722; 10.7542 93.455; 105.677; 104.138 | 744.16 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519371 | CIF | C17 H17 I N2 O3 S | P 1 21/n 1 | 9.0892; 21.1577; 10.0924 90; 115.781; 90 | 1747.65 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519372 | CIF | C10 H10 I N3 O3 | P -1 | 7.0864; 7.4613; 13.5366 99.491; 94.725; 117.637 | 614.97 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519373 | CIF | C12 H14 Ag B Cl2 F4 N2 | P 1 21/n 1 | 7.2894; 13.3581; 16.9874 90; 101.989; 90 | 1618.03 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519374 | CIF | C12 H14 Ag Cl3 N2 O4 | P 1 21/n 1 | 7.2442; 13.3604; 16.9657 90; 101.394; 90 | 1609.67 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519375 | CIF | C12 H14 Ag Cl2 F6 N2 P | P -1 | 9.968; 10.512; 10.679 111.37; 116.82; 97.43 | 869.9 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519376 | CIF | C12 H14 Ag Cl2 F6 N2 Sb | P 1 21/c 1 | 12.6882; 13.8467; 11.1581 90; 112.12; 90 | 1816.08 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519377 | CIF | C11 H10 Ag F3 N2 O3 S | P 1 21/c 1 | 7.952; 17.294; 10.7947 90; 95.624; 90 | 1477.36 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519378 | CIF | C17 H17 Ag N2 O3 S | P 1 21/c 1 | 9.8088; 15.4242; 11.5973 90; 100.033; 90 | 1727.76 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519379 | CIF | C15 H15 Ag2 N5 O6 | P -1 | 7.4958; 10.0405; 12.7988 82.991; 83.259; 76.743 | 926.59 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519380 | CIF | C10 H12 Ag N3 O4 | I 1 2/a 1 | 5.7265; 14.7681; 14.6482 90; 96.59; 90 | 1230.61 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519381 | CIF | C22.5 H17 Ag Cl5 N3 O3 | P -1 | 7.2198; 13.3083; 14.6862 116.693; 90.96; 90.319 | 1260.4 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1519382 | CIF | C59 H79 B Cl N6 O13 S6 | P -1 | 17.809; 18.594; 22.412 73.894; 83.175; 71.769 | 6768.1 | Rudolf, Marc; Trukhina, Olga; Perles, Josefina; Feng, Lai; Akasaka, Takeshi; Torres, Tomas; Guldi, Dirk M. Taming C60fullerene: tuning intramolecular photoinduced electron transfer process with subphthalocyanines Chem. Sci., 2015, 6, 4141 |
1519383 | CIF | C72 H116 Fe2 Mo2 N12 P4 | P -1 | 14.749; 15.266; 18.081 72.467; 83.794; 81.014 | 3826.2 | Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site Chem. Sci., 2015, 6, 3940 |
1519384 | CIF | C72 H116 Mo2 N12 P4 Ru2 | P -1 | 14.7212; 15.3604; 18.0121 72.7582; 84.4816; 81.1096 | 3837.72 | Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site Chem. Sci., 2015, 6, 3940 |
1519385 | CIF | C39 H65 Cl3 Fe Mo N P2 | C 1 c 1 | 21.9221; 15.852; 14.007 90; 121.631; 90 | 4144.4 | Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site Chem. Sci., 2015, 6, 3940 |
1519386 | CIF | C39 H64 Cl5 Fe Mo N P2 | P -1 | 13.2456; 15.6143; 24.2272 90.538; 102.695; 112.964 | 4475.5 | Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site Chem. Sci., 2015, 6, 3940 |
1519387 | CIF | C40 H57 Cl5 Fe Mo N P2 | C 1 c 1 | 18.9384; 19.521; 13.7984 90; 120.86; 90 | 4379 | Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site Chem. Sci., 2015, 6, 3940 |
1519388 | CIF | C27 H25 N5 O2 | P 21 21 21 | 11.295; 12.39; 16.088 90; 90; 90 | 2251.4 | Li, Qi; Xia, Tingting; Yao, Licheng; Deng, Haiteng; Liao, Xuebin Enantioselective and diastereoselective azo-coupling/iminium-cyclizations: a unified strategy for the total syntheses of (−)-psychotriasine and (+)-pestalazine B Chem. Sci., 2015, 6, 3599 |
1519389 | CIF | C60 H70 N2 O4 | P -1 | 10.8676; 12.3446; 19.476 75.286; 86.422; 86.274 | 2518.9 | Yatham, Veera Reddy; Neudörfl, Jörg-M.; Schlörer, Nils E.; Berkessel, Albrecht Carbene catalyzed umpolung of α,β-enals: a reactivity study of diamino dienols vs. azolium enolates, and the characterization of advanced reaction intermediates Chem. Sci., 2015, 6, 3706 |
1519390 | CIF | C55 H72 N2 O6 | P 1 21/c 1 | 12.309; 37.444; 10.6821 90; 91.78; 90 | 4921 | Yatham, Veera Reddy; Neudörfl, Jörg-M.; Schlörer, Nils E.; Berkessel, Albrecht Carbene catalyzed umpolung of α,β-enals: a reactivity study of diamino dienols vs. azolium enolates, and the characterization of advanced reaction intermediates Chem. Sci., 2015, 6, 3706 |
1519391 | CIF | C18 H54 Cl N3 Si6 Th | R 3 c :H | 18.4298; 18.4298; 16.84 90; 90; 120 | 4953.5 | Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W. Thorium‒ligand multiple bonds via reductive deprotection of a trityl group Chem. Sci., 2015, 6, 3891 |
1519392 | CIF | C36 H82 Cl2 N3 Na O4.5 Si6 Th | R -3 :H | 18.404; 18.404; 29.626 90; 90; 120 | 8690 | Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W. Thorium‒ligand multiple bonds via reductive deprotection of a trityl group Chem. Sci., 2015, 6, 3891 |
1519393 | CIF | C18 H54 I N3 Si6 Th | R 3 c :H | 18.328; 18.328; 17.356 90; 90; 120 | 5049 | Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W. Thorium‒ligand multiple bonds via reductive deprotection of a trityl group Chem. Sci., 2015, 6, 3891 |
1519394 | CIF | C53 H73 N2 O2 Si4 Th | P -1 | 12.955; 13.0253; 16.867 85.654; 77.178; 79.336 | 2725.5 | Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W. Thorium‒ligand multiple bonds via reductive deprotection of a trityl group Chem. Sci., 2015, 6, 3891 |
1519395 | CIF | C37 H69 N3 S Si6 Th | P -1 | 10.5938; 11.5867; 19.595 96.883; 91.006; 96.27 | 2372.5 | Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W. Thorium‒ligand multiple bonds via reductive deprotection of a trityl group Chem. Sci., 2015, 6, 3891 |
1519396 | CIF | C32 H83 K N3 O7.5 Si6 Th | P b c a | 20.457; 20.307; 25.358 90; 90; 90 | 10534 | Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W. Thorium‒ligand multiple bonds via reductive deprotection of a trityl group Chem. Sci., 2015, 6, 3891 |
1519397 | CIF | C30 H78 K N3 O6 S Si6 Th | P -1 | 12.7484; 18.891; 21.817 91.554; 105.863; 92.564 | 5044.8 | Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W. Thorium‒ligand multiple bonds via reductive deprotection of a trityl group Chem. Sci., 2015, 6, 3891 |
1519398 | CIF | C8 H6 F4 O6 | P 1 21/c 1 | 8.5417; 8.0442; 7.4465 90; 99.017; 90 | 505.33 | Gong, Yongyang; Zhao, Lifang; Peng, Qian; Fan, Di; Yuan, Wang Zhang; Zhang, Yongming; Tang, Ben Zhong Crystallization-induced dual emission from metal- and heavy atom-free aromatic acids and esters Chem. Sci., 2015, 6, 4438 |
1519399 | CIF | C10 H6 F4 O4 | P 1 21/n 1 | 6.332; 4.701; 17.423 90; 95.605; 90 | 516.1 | Gong, Yongyang; Zhao, Lifang; Peng, Qian; Fan, Di; Yuan, Wang Zhang; Zhang, Yongming; Tang, Ben Zhong Crystallization-induced dual emission from metal- and heavy atom-free aromatic acids and esters Chem. Sci., 2015, 6, 4438 |
1519400 | CIF | C94 H93.62 Ga4 Gd2 N15 O31.31 | C 1 2/c 1 | 25.233; 22.054; 17.997 90; 99.09; 90 | 9889 | Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative Chem. Sci., 2015, 6, 4148 |
1519401 | CIF | C94 H93 Ga4 N15 O31 Tb2 | C 1 2/c 1 | 25.1697; 22.1217; 17.9895 90; 99.302; 90 | 9884.8 | Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative Chem. Sci., 2015, 6, 4148 |
1519402 | CIF | C94 H93 Dy2 Ga4 N15 O31 | C 1 2/c 1 | 25.1638; 22.1781; 18.0649 90; 99.353; 90 | 9947.7 | Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative Chem. Sci., 2015, 6, 4148 |
1519403 | CIF | C93 H91 Er2 Ga4 N15 O31 | C 1 2/c 1 | 25.1476; 22.138; 18.0285 90; 99.177; 90 | 9908.3 | Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative Chem. Sci., 2015, 6, 4148 |
1519404 | CIF | C94 H93 Ga4 N15 O31 Y2 | C 1 2/c 1 | 25.1053; 22.1794; 18.0733 90; 99.377; 90 | 9929.1 | Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative Chem. Sci., 2015, 6, 4148 |
1519405 | CIF | C26 H20 O3 | P 21 21 21 | 5.8732; 11.684; 28.383 90; 90; 90 | 1947.7 | Li, Guo-Tai; Gu, Qing; You, Shu-Li Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine Chem. Sci., 2015, 6, 4273 |
1519406 | CIF | C35 H38 B F4 N3 O Si | P 31 2 1 | 11.541; 11.541; 52.812 90; 90; 120 | 6091.9 | Li, Guo-Tai; Gu, Qing; You, Shu-Li Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine Chem. Sci., 2015, 6, 4273 |
1519407 | CIF | C154 H96 N14 O32 Ti7 | P 1 2/m 1 | 17.6073; 17.0188; 25.0871 90; 101.722; 90 | 7360.7 | Yuan, Shuai; Liu, Tian-Fu; Feng, Dawei; Tian, Jian; Wang, Kecheng; Qin, Junsheng; Zhang, Qiang; Chen, Ying-Pin; Bosch, Mathieu; Zou, Lanfang; Teat, Simon J.; Dalgarno, Scott J.; Zhou, Hong-Cai A single crystalline porphyrinic titanium metal‒organic framework Chem. Sci., 2015, 6, 3926 |
1519408 | CIF | C25 H21 Cl N5 O4 Pt | P -1 | 7.2307; 12.06; 14.471 74.425; 82.9797; 79.6363 | 1192.09 | Tsai, Johnson Lui-Lui; Zou, Taotao; Liu, Jia; Chen, Tianfeng; Chan, Anna On-Yee; Yang, Chen; Lok, Chun-Nam; Che, Chi-Ming Luminescent platinum(ii) complexes with self-assembly and anti-cancer properties: hydrogel, pH dependent emission color and sustained-release properties under physiological conditions Chem. Sci., 2015, 6, 3823 |
1519409 | CIF | C17 H17 Cl O3 | P 21 21 21 | 6.2836; 12.6214; 37.0026 90; 90; 90 | 2934.6 | Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations Chem. Sci., 2015, 6, 3550 |
1519410 | CIF | C17 H18 O3 | P 1 21 1 | 12.1037; 6.87725; 16.6432 90; 92.6683; 90 | 1383.88 | Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations Chem. Sci., 2015, 6, 3550 |
1519411 | CIF | C18 H19 Cl O3 | P 1 21 1 | 7.0438; 11.6921; 9.8846 90; 108.47; 90 | 772.13 | Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations Chem. Sci., 2015, 6, 3550 |
1519412 | CIF | C18 H19 N O5 | P 21 21 21 | 6.71816; 13.19234; 17.888 90; 90; 90 | 1585.38 | Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations Chem. Sci., 2015, 6, 3550 |
1519413 | CIF | C12 H9 Cl O3 | P 21 21 21 | 9.632; 9.726; 11.729 90; 90; 90 | 1098.8 | Yin, Qin; Wang, Shou-Guo; Liang, Xiao-Wei; Gao, De-Wei; Zheng, Jun; You, Shu-Li Organocatalytic asymmetric chlorinative dearomatization of naphthols Chem. Sci., 2015, 6, 4179 |
1519414 | CIF | C12 H8 Br Cl O3 | P 21 21 21 | 7.45; 7.796; 21.193 90; 90; 90 | 1230.9 | Yin, Qin; Wang, Shou-Guo; Liang, Xiao-Wei; Gao, De-Wei; Zheng, Jun; You, Shu-Li Organocatalytic asymmetric chlorinative dearomatization of naphthols Chem. Sci., 2015, 6, 4179 |
1519415 | CIF | C114 H86 O52 Y6 | P m -3 m | 19.3042; 19.3042; 19.3042 90; 90; 90 | 7193.8 | Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs Chem. Sci., 2015, 6, 4095 |
1519416 | CIF | C138 H78 O35 Y6 | I m -3 | 40.048; 40.048; 40.048 90; 90; 90 | 64231 | Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs Chem. Sci., 2015, 6, 4095 |
1519417 | CIF | C162 H78 O32 Y6 | I m -3 | 48.111; 48.111; 48.111 90; 90; 90 | 111361 | Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs Chem. Sci., 2015, 6, 4095 |
1519418 | CIF | C17 H17 F S | P 21 21 21 | 7.9685; 11.0136; 16.1416 90; 90; 90 | 1416.6 | Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R. Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect? Chem. Sci., 2015, 6, 3565 |
1519419 | CIF | C17 H17 F O S | P 21 21 21 | 9.4841; 9.9993; 14.7157 90; 90; 90 | 1395.55 | Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R. Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect? Chem. Sci., 2015, 6, 3565 |
1519420 | CIF | C17 H17 F O2 S | P 1 21/c 1 | 14.663; 9.5972; 10.7876 90; 109.646; 90 | 1429.7 | Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R. Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect? Chem. Sci., 2015, 6, 3565 |
1519421 | CIF | C8 H8 F N O3 S | P n a 21 | 20.3421; 4.6595; 9.8133 90; 90; 90 | 930.14 | Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R. Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect? Chem. Sci., 2015, 6, 3565 |
1519422 | CIF | C8 H8 F N O4 S | P -1 | 7.2161; 7.3574; 9.1736 86.045; 76.993; 78.266 | 464.49 | Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R. Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect? Chem. Sci., 2015, 6, 3565 |
1519423 | CIF | C15 H20 N2 O2 | P 1 21 1 | 9.4882; 10.3774; 15.575 90; 107.509; 90 | 1462.5 | Kim, Jinhee; Sim, Mikyung; Kim, Namhoon; Hong, Sungwoo Asymmetric C‒H functionalization of cyclopropanes using an isoleucine-NH2bidentate directing group Chem. Sci., 2015, 6, 3611 |
1519424 | CIF | C19 H21 Cu N4 O4.5 | P 1 21/c 1 | 12.1843; 13.6819; 22.5624 90; 99.683; 90 | 3707.7 | Moore, Cameron M.; Szymczak, Nathaniel K. Nitrite reduction by copper through ligand-mediated proton and electron transfer Chem. Sci., 2015, 6, 3373 |
1519425 | CIF | C36 H34 Cu2 N8 O6 | P b c n | 14.1161; 15.8051; 14.538 90; 90; 90 | 3243.5 | Moore, Cameron M.; Szymczak, Nathaniel K. Nitrite reduction by copper through ligand-mediated proton and electron transfer Chem. Sci., 2015, 6, 3373 |
1519426 | CIF | C26 H44 B Cl2 N2 | P 1 21/n 1 | 8.7727; 16.781; 18.22 90; 91.317; 90 | 2681.5 | Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C. Generation of 1,2-azaboretidines via reduction of ADC borane adducts Chem. Sci., 2015, 6, 3461 |
1519427 | CIF | C22 H39 B Cl2 N2 | P 1 21/n 1 | 8.4091; 23.915; 13.429 90; 91.008; 90 | 2700.2 | Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C. Generation of 1,2-azaboretidines via reduction of ADC borane adducts Chem. Sci., 2015, 6, 3461 |
1519428 | CIF | C13 H28 B Br2 N2 | P 1 21/n 1 | 7.1189; 15.9168; 15.0043 90; 91.677; 90 | 1699.4 | Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C. Generation of 1,2-azaboretidines via reduction of ADC borane adducts Chem. Sci., 2015, 6, 3461 |
1519429 | CIF | C23 H41 B N2 | P -1 | 8.8938; 9.258; 15.064 73.468; 79.717; 77.485 | 1151.7 | Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C. Generation of 1,2-azaboretidines via reduction of ADC borane adducts Chem. Sci., 2015, 6, 3461 |
1519430 | CIF | C20 H16 N2 O2 | C 1 2/c 1 | 17.37; 29.0684; 8.8805 90; 94.498; 90 | 4470.1 | He, Xiaoyan; Benniston, Andrew C.; Saarenpää, Hanna; Lemmetyinen, Helge; Tkachenko, Nikolia V.; Baisch, Ulrich Polymorph crystal packing effects on charge transfer emission in the solid state Chem. Sci., 2015, 6, 3525 |
1519431 | CIF | C20 H16 N2 O2 | P -1 | 9.4336; 9.5749; 9.9183 115.803; 97.324; 104.839 | 749.69 | He, Xiaoyan; Benniston, Andrew C.; Saarenpää, Hanna; Lemmetyinen, Helge; Tkachenko, Nikolia V.; Baisch, Ulrich Polymorph crystal packing effects on charge transfer emission in the solid state Chem. Sci., 2015, 6, 3525 |
1519432 | CIF | C394 H336 Cl20 N62 O76 Zn10 | P 1 2/n 1 | 21.4479; 30.381; 34.189 90; 97.46; 90 | 22089 | Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R. Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests Chem. Sci., 2015, 6, 3533 |
1519433 | CIF | C156 H132 B6 Br4 Co5 F24 N24 | F 41 3 2 | 34.5284; 34.5284; 34.5284 90; 90; 90 | 41165.1 | Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R. Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests Chem. Sci., 2015, 6, 3533 |
1519434 | CIF | C156 H132 Co4 F48 N24 P4.96 Sb3.04 | C 1 2/c 1 | 43.7451; 25.115; 39.7763 90; 100.245; 90 | 43003.8 | Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R. Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests Chem. Sci., 2015, 6, 3533 |
1519435 | CIF | C390 H330 Br Cl19 N60 O76 Zn10 | P 1 2/n 1 | 21.4814; 30.514; 34.022 90; 97.399; 90 | 22115 | Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R. Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests Chem. Sci., 2015, 6, 3533 |
1519436 | CIF | C8 H20 Br4 Cl4 N2 Pb | P -1 | 7.792; 8.315; 16.462 97.337; 96.252; 90.184 | 1051.4 | Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I. Post-synthetic halide conversion and selective halogen capture in hybrid perovskites Chem. Sci., 2015, 6, 4054 |
1519437 | CIF | C8 H20 Br4 Cl4 N2 Pb | P 1 21/c 1 | 5.4158; 5.4438; 35.809 90; 93.3655; 90 | 1053.9 | Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I. Post-synthetic halide conversion and selective halogen capture in hybrid perovskites Chem. Sci., 2015, 6, 4054 |
1519438 | CIF | C8 H20 Br8 N2 Pb | P -1 | 7.9735; 8.3877; 16.775 95.611; 95.889; 90.377 | 1110.5 | Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I. Post-synthetic halide conversion and selective halogen capture in hybrid perovskites Chem. Sci., 2015, 6, 4054 |
1519439 | CIF | C17 H18 F3 N S | P 1 21 1 | 9.1167; 7.9295; 11.3854 90; 105.727; 90 | 792.25 | Chen, Jiean; Meng, Sixuan; Wang, Leming; Tang, Hongmei; Huang, Yong Highly enantioselective sulfa-Michael addition reactions using N-heterocyclic carbene as a non-covalent organocatalyst Chem. Sci., 2015, 6, 4184 |
1519440 | CIF | C28 H27 Br O4 | P 21 21 21 | 8.7857; 16.2342; 17.0357 90; 90; 90 | 2429.8 | Verrier, Charlie; Melchiorre, Paolo Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans Chem. Sci., 2015, 6, 4242 |
1519441 | CIF | C28 H28 O4 | C 1 2 1 | 22.183; 7.95; 15.744 90; 122.929; 90 | 2330.5 | Verrier, Charlie; Melchiorre, Paolo Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans Chem. Sci., 2015, 6, 4242 |
1519442 | CIF | C68 H87 Cl5 Cu5 N16 O48 P2 | P 21 21 21 | 16.4315; 18.87; 30.286 90; 90; 90 | 9390.5 | Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion Chem. Sci., 2015, 6, 4300 |
1519443 | CIF | C219 H238.34 Cu15 F45 N48 O117.67 P6 S15 | P 1 21 1 | 17.821; 49.945; 18.529 90; 108.269; 90 | 15661 | Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion Chem. Sci., 2015, 6, 4300 |
1519634 | CIF | C63.2 H72.55 I6 N13.06 Zn3 | C 1 2 1 | 35.1081; 14.6516; 31.3279 90; 101.649; 90 | 15782.8 | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method Chem. Sci., 2015, 6, 3765 |
1519635 | CIF | C60.26 H61.53 I6 N14 Zn3 | C 1 2 1 | 35.2721; 14.6427; 31.6037 90; 102.029; 90 | 15964.2 | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method Chem. Sci., 2015, 6, 3765 |
1519636 | CIF | C84.5 H64 I12.04 N24 S0.5 Zn6 | C 1 2 1 | 34.8299; 14.9133; 31.5387 90; 102.403; 90 | 15999.8 | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method Chem. Sci., 2015, 6, 3765 |
1519637 | CIF | C87.64 H68.04 I12 N24 S0.62 Zn6 | C 1 2 1 | 34.4391; 15.0959; 29.9556 90; 101.454; 90 | 15263.4 | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method Chem. Sci., 2015, 6, 3765 |
1519638 | CIF | C85.6 H63.3 I12 N24 O1.7 Zn6 | C 1 2 1 | 34.2; 15.1265; 31.003 90; 102.385; 90 | 15665 | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method Chem. Sci., 2015, 6, 3765 |
1519639 | CIF | C86.95 H64.82 I12 N24 O1.87 Zn6 | C 1 2 1 | 34.627; 15.0818; 31.194 90; 102.792; 90 | 15886 | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method Chem. Sci., 2015, 6, 3765 |
1519640 | CIF | C34 H50 N2 Na O4 P | P 1 21/n 1 | 10.6728; 15.0865; 21.8147 90; 93.643; 90 | 3505.4 | Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M. Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources Chem. Sci., 2015, 6, 4017 |
1519641 | CIF | C24 H44 N4 Na O5 P | P 1 21/n 1 | 19.3693; 14.6742; 21.9183 90; 111.339; 90 | 5802.7 | Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M. Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources Chem. Sci., 2015, 6, 4017 |
1519642 | CIF | C32 H54 N4 Na O6 P | P 21 21 21 | 10.4709; 17.4983; 18.6976 90; 90; 90 | 3425.83 | Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M. Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources Chem. Sci., 2015, 6, 4017 |
1519643 | CIF | C38 H58 K N2 O8 P | P 1 21/n 1 | 10.7457; 17.6496; 21.5074 90; 99.87; 90 | 4018.66 | Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M. Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources Chem. Sci., 2015, 6, 4017 |
1519644 | CIF | C64 H92 K N4 O10 P | P 1 21 1 | 13.233; 19.9093; 13.5733 90; 115.271; 90 | 3233.79 | Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M. Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources Chem. Sci., 2015, 6, 4017 |
1519645 | CIF | C43 H65 Dy N2 O6 | P -1 | 11.0343; 12.2286; 17.5339 77.103; 85.701; 69.694 | 2162.9 | Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song Does the thermal evolution of molecular structures critically affect the magnetic anisotropy? Chem. Sci., 2015, 6, 4587 |
1519646 | CIF | C43 H65 Dy N2 O6 | P -1 | 11.0141; 12.2286; 17.5325 77.161; 85.753; 69.723 | 2159.67 | Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song Does the thermal evolution of molecular structures critically affect the magnetic anisotropy? Chem. Sci., 2015, 6, 4587 |
1519647 | CIF | C43 H65 Dy N2 O6 | P -1 | 11.087; 12.2243; 18.3363 79.664; 85.44; 68.727 | 2277.9 | Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song Does the thermal evolution of molecular structures critically affect the magnetic anisotropy? Chem. Sci., 2015, 6, 4587 |
1519705 | CIF | C104 H154 I4 O P8 Pd4 | P 1 21/c 1 | 16.2343; 15.9423; 20.8753 90; 94.704; 90 | 5384.6 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
1519706 | CIF | C25 H36 Br P2 Pd | P 1 21/n 1 | 12.5686; 13.9781; 14.9939 90; 97.33; 90 | 2612.7 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
1519707 | CIF | C25 H37 Br P2 Pd | P 1 21/n 1 | 11.2438; 13.7677; 17.4246 90; 106.978; 90 | 2579.8 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
1519708 | CIF | C25 H36 Cl P2 Pd | P 1 21/n 1 | 11.6639; 13.5934; 16.568 90; 105.116; 90 | 2536 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
1519709 | CIF | C29 H47 P3 Pd | P 1 21/n 1 | 10.3086; 24.0617; 12.5709 90; 107.577; 90 | 2972.5 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
1519710 | CIF | C26 H40 Cl2 P2 Pd | C 1 2/c 1 | 13.0569; 16.808; 31.261 90; 93.209; 90 | 6849.8 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
1519711 | CIF | C26 H39 Cl P2 Pd | P 1 21/c 1 | 11.2685; 20.7303; 23.1605 90; 99.234; 90 | 5340.2 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
1519712 | CIF | C25 H37 I P2 Pd | C 1 2/c 1 | 29.176; 12.515; 22.247 90; 105.315; 90 | 7835 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
1519713 | CIF | C51 H78 Br4 Cl2 P4 Pd2 | P 1 21/n 1 | 10.3876; 16.2993; 17.0895 90; 103.477; 90 | 2813.8 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
1519714 | CIF | C56 H33 D6 N O5 | P -1 | 12.741; 16.6787; 20.596 102.918; 90.565; 106.517 | 4077.3 | Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D. How important are dispersion interactions to the strength of aromatic stacking interactions in solution? Chem. Sci., 2015, 6, 4358 |
1519715 | CIF | C42 H29 N O4 | P 21 21 21 | 8.0214; 18.267; 21.084 90; 90; 90 | 3089.4 | Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D. How important are dispersion interactions to the strength of aromatic stacking interactions in solution? Chem. Sci., 2015, 6, 4358 |
1519716 | CIF | C54 H36 N O4 | P -1 | 9.7344; 12.477; 16.268 91.644; 99.097; 94.093 | 1944.4 | Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D. How important are dispersion interactions to the strength of aromatic stacking interactions in solution? Chem. Sci., 2015, 6, 4358 |
1519717 | CIF | C78 H76 B F24 P Ru S Si2 | P -1 | 13.1832; 16.891; 20.072 67.256; 76.552; 73.916 | 3920.8 | Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds Chem. Sci., 2015, 6, 4324 |
1519718 | CIF | C66 H64 B F24 P Ru S Si | P 1 21/n 1 | 13.56; 27.705; 18.609 90; 102.006; 90 | 6838 | Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds Chem. Sci., 2015, 6, 4324 |
1519719 | CIF | C46 H38 B F24 O P Si | P 1 21/c 1 | 16.929; 18.161; 16.113 90; 97.045; 90 | 4916.5 | Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds Chem. Sci., 2015, 6, 4324 |
1519720 | CIF | C104 H154 I4 O P8 Pd4 | P 1 21/c 1 | 16.2343; 15.9423; 20.8753 90; 94.704; 90 | 5384.6 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
1519721 | CIF | C25 H36 Br P2 Pd | P 1 21/n 1 | 12.5686; 13.9781; 14.9939 90; 97.33; 90 | 2612.7 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
1519722 | CIF | C25 H37 Br P2 Pd | P 1 21/n 1 | 11.2438; 13.7677; 17.4246 90; 106.978; 90 | 2579.8 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
1519723 | CIF | C25 H36 Cl P2 Pd | P 1 21/n 1 | 11.6639; 13.5934; 16.568 90; 105.116; 90 | 2536 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
1519724 | CIF | C29 H47 P3 Pd | P 1 21/n 1 | 10.3086; 24.0617; 12.5709 90; 107.577; 90 | 2972.5 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
1519725 | CIF | C26 H40 Cl2 P2 Pd | C 1 2/c 1 | 13.0569; 16.808; 31.261 90; 93.209; 90 | 6849.8 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
1519726 | CIF | C26 H39 Cl P2 Pd | P 1 21/c 1 | 11.2685; 20.7303; 23.1605 90; 99.234; 90 | 5340.2 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
1519727 | CIF | C25 H37 I P2 Pd | C 1 2/c 1 | 29.176; 12.515; 22.247 90; 105.315; 90 | 7835 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
1519728 | CIF | C51 H78 Br4 Cl2 P4 Pd2 | P 1 21/n 1 | 10.3876; 16.2993; 17.0895 90; 103.477; 90 | 2813.8 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
1519764 | CIF | C15 H22 N2 O5 | P 21 21 21 | 10.7542; 11.2346; 13.4066 90; 90; 90 | 1619.77 | Wang, Chao; Zhang, Li; Chen, Changpeng; Han, Jian; Yao, Yingming; Zhao, Yingsheng Oxalyl amide assisted palladium-catalyzed synthesis of pyrrolidones via carbonylation of γ-C(sp3)‒H bonds of aliphatic amine substrates Chem. Sci., 2015, 6, 4610 |
1519852 | CIF | C40 H46 N2 | P 1 21/c 1 | 10.701; 27.6694; 11.1215 90; 98.764; 90 | 3254.52 | Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives Chem. Sci., 2015, 6, 4160 |
1519853 | CIF | C46 H51 I6 N2 | P 1 21/c 1 | 15.047; 24.399; 13.754 90; 108.9; 90 | 4777.3 | Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives Chem. Sci., 2015, 6, 4160 |
1519854 | CIF | C46 H58 N2 | P 1 21/n 1 | 13.312; 18.813; 15.401 90; 97.762; 90 | 3821.7 | Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives Chem. Sci., 2015, 6, 4160 |
1519855 | CIF | C86 H108 N4 | C 1 2/c 1 | 30.6695; 12.1512; 23.0584 90; 119.572; 90 | 7473.9 | Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives Chem. Sci., 2015, 6, 4160 |
1519925 | CIF | C80 H56 Co7 F18 N16 O18 Si | P a -3 | 24.5063; 24.5063; 24.5063 90; 90; 90 | 14717.5 | Chen, Kai-Jie; Perry IV, John J.; Scott, Hayley S.; Yang, Qing-Yuan; Zaworotko, Michael J. Double-walled pyr topology networks from a novel fluoride-bridged heptanuclear metal cluster Chem. Sci., 2015, 6, 4784 |
1519926 | CIF | C54 H62 Co N2 O4 | P -1 | 10.6748; 11.9906; 19.6875 101.316; 101.953; 103.763 | 2313.24 | Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M. Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism Chem. Sci., 2015, 6, 4599 |
1519927 | CIF | C54 H62 Co N2 O4 | P -1 | 10.7956; 12.0991; 19.834 102.162; 101.446; 104.036 | 2370.3 | Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M. Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism Chem. Sci., 2015, 6, 4599 |
1519928 | CIF | C54 H62 Co N2 O4 | P -1 | 9.8997; 10.812; 12.1278 104.002; 102.27; 101.408 | 1187.5 | Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M. Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism Chem. Sci., 2015, 6, 4599 |
1519929 | CIF | C82 H94 Co N2 O4 | P 1 21/n 1 | 16.5308; 11.7257; 18.9821 90; 107.445; 90 | 3510.2 | Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M. Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism Chem. Sci., 2015, 6, 4599 |
1519930 | CIF | C18 H26 Sn0.5 | P b c m | 10.9013; 12.0601; 25.222 90; 90; 90 | 3315.96 | Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination Chem. Sci., 2015, 6, 4737 |
1519931 | CIF | C89 H134 N2 Sn2 | P -1 | 12.7122; 15.3521; 22.5773 84.881; 89.932; 82.556 | 4351.4 | Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination Chem. Sci., 2015, 6, 4737 |
1519932 | CIF | C48.5 H70 Sn | P 1 21/c 1 | 15.9849; 15.9056; 17.7408 90; 100.754; 90 | 4431.37 | Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination Chem. Sci., 2015, 6, 4737 |
1519944 | CIF | C35 H36 Cl2 F12 N2 O6 | C 1 2/c 1 | 29.3901; 13.5696; 21.1866 90; 105.652; 90 | 8136.1 | Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions Chem. Sci., 2015, 6, 4923 |
1519945 | CIF | C33 H42 N4 O9 | P 1 21/n 1 | 10.4318; 18.5656; 17.6555 90; 90.817; 90 | 3419.04 | Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions Chem. Sci., 2015, 6, 4923 |
1519946 | CIF | C32 H32 F12 N2 O9 | P 1 21/c 1 | 11.9175; 19.021; 17.226 90; 108.787; 90 | 3696.8 | Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions Chem. Sci., 2015, 6, 4923 |
1519947 | CIF | C45 H38 Cl2 N4 O4 | P -1 | 9.5715; 18.5858; 23.8686 67.485; 81.597; 88.411 | 3878.5 | Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions Chem. Sci., 2015, 6, 4923 |
1520035 | CIF | C38 H34 Cl6 Cr Fe Mn N6 O14 | C 1 2/c 1 | 14.2177; 22.9278; 14.5428 90; 105.118; 90 | 4576.6 | Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules Chem. Sci., 2015, 6, 4665 |
1520036 | CIF | C38 H34 Br6 Cr Fe Mn N6 O14 | C 1 2/c 1 | 14.1914; 23.0061; 14.788 90; 104.703; 90 | 4670 | Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules Chem. Sci., 2015, 6, 4665 |
1520037 | CIF | C38 H34 Br6 Cr Ga Mn N6 O14 | C 1 2/c 1 | 14.1613; 23.0839; 14.8676 90; 104.296; 90 | 4709.7 | Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules Chem. Sci., 2015, 6, 4665 |
1520038 | CIF | C26 H24 N2 O4 | P 1 21/c 1 | 9.7172; 11.762; 19.84 90; 99.84; 90 | 2234.2 | Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs Chem. Sci., 2015, 6, 4690 |
1520039 | CIF | C26 H24 N2 O4 | P 1 21/n 1 | 9.591; 14.916; 15.744 90; 91.79; 90 | 2251.2 | Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs Chem. Sci., 2015, 6, 4690 |
1520040 | CIF | C26 H22 Br2 N2 O4 | P -1 | 10.6774; 10.7451; 12.3472 107.453; 103.856; 103.585 | 1238.02 | Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs Chem. Sci., 2015, 6, 4690 |
1520041 | CIF | C26 H22 Br2 N2 O4 | P -1 | 12.571; 13.241; 15.845 87.14; 76.74; 74.96 | 2479.1 | Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs Chem. Sci., 2015, 6, 4690 |
1520042 | CIF | C26 H22 Br2 N2 O4 | P b c a | 11.755; 20.78; 21.031 90; 90; 90 | 5137 | Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs Chem. Sci., 2015, 6, 4690 |
1520043 | CIF | C28 H22 Br2 N6 O2 | P 1 21/c 1 | 13.5422; 19.675; 10.2805 90; 100.796; 90 | 2690.7 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
1520044 | CIF | C28 H22 Br2 N6 O2 | P 1 21/c 1 | 14.5095; 20.268; 9.5541 90; 97.192; 90 | 2787.6 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
1520045 | CIF | C28 H22 Cl2 N6 O2 | P 1 21/c 1 | 15.6181; 15.7722; 10.6301 90; 95.137; 90 | 2608 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
1520046 | CIF | C28 H22 Cl2 N6 O2 | P 1 21/c 1 | 15.6347; 15.989; 10.646 90; 95.252; 90 | 2650.1 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
1520047 | CIF | C28 H22 Cl2 N6 O2 | P 1 21/c 1 | 14.4187; 19.4064; 9.7692 90; 95.552; 90 | 2720.7 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
1520048 | CIF | C28 H22 Cl2 N6 O2 | P 1 21/c 1 | 14.4; 19.51; 9.757 90; 95.784; 90 | 2727.2 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
1520049 | CIF | C28 H22 I2 N6 O2 | P -1 | 8.982; 12.5271; 26.146 84.5; 89.331; 74.563 | 2822.4 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
1520050 | CIF | C28 H22 I2 N6 O2 | P -1 | 9.048; 12.5933; 26.305 83.815; 89.271; 75.005 | 2878 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
1520051 | CIF | C11 H9 N3 | P 21 21 21 | 5.9077; 7.4479; 21.752 90; 90; 90 | 957.1 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
1520052 | CIF | C11 H9 N3 | P 21 21 21 | 5.911; 7.496; 21.82 90; 90; 90 | 967 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
1520069 | CIF | C17 H39 Cl2 Fe N P2 | P 21 21 21 | 10.9222; 11.7618; 17.7375 90; 90; 90 | 2278.64 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
1520070 | CIF | C17 H44 B Fe N P2 | C 1 2/c 1 | 31.925; 7.968; 21.06 90; 121.335; 90 | 4575.8 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
1520071 | CIF | C18 H44 B Fe N O P2 | P 1 21/n 1 | 8.4128; 31.269; 9.8709 90; 114.779; 90 | 2357.6 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
1520072 | CIF | C18 H41 Fe N O P2 | P 1 21/n 1 | 8.0283; 12.8902; 21.842 90; 98.351; 90 | 2236.4 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
1520073 | CIF | C18 H41 Fe N O P2 | P 1 21/n 1 | 11.5836; 15.4917; 13.1032 90; 110.887; 90 | 2196.85 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
1520074 | CIF | C19 H41 Fe N O3 P2 | P 41 | 11.736; 11.736; 16.678 90; 90; 90 | 2297.1 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
1520075 | CIF | C23 H49 Fe N O3 P2 | P 1 21/n 1 | 15.4197; 12.0975; 16.0962 90; 114.498; 90 | 2732.3 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
1520213 | CIF | C46 H40 N12 O2 Zn4 | P -1 | 10.283; 10.474; 20.857 95.09; 94.25; 96.25 | 2216.3 | Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices Chem. Sci., 2015, 6, 4623 |
1520214 | CIF | C42 H48 B9 Cu N2 O P2 | P -1 | 10.828; 13.677; 14.95 90.64; 106.555; 95.534 | 2110.6 | Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices Chem. Sci., 2015, 6, 4623 |
1520215 | CIF | C53 H52 B9 Cl2 Cu N2 P2 | P 1 21/c 1 | 15.5324; 15.5957; 20.6244 90; 98.789; 90 | 4937.4 | Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices Chem. Sci., 2015, 6, 4623 |
1520226 | CIF | C5 H11 Cl N6 | P m n a | 6.4782; 9.5193; 14.311 90; 90; 90 | 882.5 | Xu, Jun; Yu, Hongde; Yang, Liulin; Wu, Guanglu; Wang, Zhiqiang; Wang, Dong; Zhang, Xi Self-assembling 1D core/shell microrods by the introduction of additives: a one-pot and shell-tunable method Chem. Sci., 2015, 6, 4907 |
1520227 | CIF | C58 H55 B F24 Fe N P3 | P 1 21/c 1 | 18.4232; 13.0618; 25.9802 90; 99.53; 90 | 6165.6 | Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study Chem. Sci., 2015, 6, 4730 |
1520228 | CIF | C61 H60 B F24 Fe N O P3 | C 1 2/m 1 | 19.963; 17.492; 19.586 90; 93.869; 90 | 6824 | Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study Chem. Sci., 2015, 6, 4730 |
1520229 | CIF | C58 H45 B F24 Fe N2 P2 | P 1 21/c 1 | 19.6517; 12.5655; 25.3645 90; 109.745; 90 | 5895.1 | Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study Chem. Sci., 2015, 6, 4730 |
1520230 | CIF | C26 H32 Fe N2 P2 | P -1 | 10.2138; 10.6014; 12.4208 88.674; 67.062; 89.687 | 1238.24 | Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study Chem. Sci., 2015, 6, 4730 |
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