Crystallography Open Database
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Searching journal of publication like 'Chemical Science' volume of publication is 6
| COD ID: 1517271 | |
| CIF file | Formula: - C371 H328 B16 Co8 F64 N72 O26 - Comments: 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. 6(1) (2015) 625 Space group: C 1 2/c 1 Cell volume: 42973 Cell parameters: 27.3936; 39.1227; 41.964; 90; 107.152; 90; |
| COD ID: 1517459 | |
| CIF file | Formula: - C46 H44 Cl2 F6 N O7 P3 Ru S2 - Comments: 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. 6(1) (2015) 693 Space group: P 1 21 1 Cell volume: 2439.3 Cell parameters: 12.731; 15.301; 13.247; 90; 109.038; 90; |
| COD ID: 1517514 | |
| CIF file | Formula: - C12 H12 F6 P Tc - Comments: 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. 6(1) (2015) 165 Space group: P 1 21/c 1 Cell volume: 1328.73 Cell parameters: 13.8831; 9.8745; 9.719; 90; 94.232; 90; |
| COD ID: 1517515 | |
| CIF file | Formula: - C14 H16 F6 P Tc - Comments: 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. 6(1) (2015) 165 Space group: P 1 21/n 1 Cell volume: 754.2 Cell parameters: 7.7559; 11.003; 8.9353; 90; 98.474; 90; |
| COD ID: 1517516 | |
| CIF file | Formula: - C18 H24 F6 P Tc - Comments: 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. 6(1) (2015) 165 Space group: P 21 21 21 Cell volume: 1916 Cell parameters: 9.2697; 13.0695; 15.815; 90; 90; 90; |
| COD ID: 1517517 | |
| CIF file | Formula: - C20 H24 F6 P Tc - Comments: 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. 6(1) (2015) 165 Space group: P 1 21/n 1 Cell volume: 965.8 Cell parameters: 8.7563; 12.1899; 9.5187; 90; 108.089; 90; |
| COD ID: 1517518 | |
| CIF file | Formula: - C21 H49 Al Cl7 N7 O7 Tc - Comments: 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. 6(1) (2015) 165 Space group: P 1 21 1 Cell volume: 2001.92 Cell parameters: 8.8724; 23.5963; 9.6318; 90; 96.888; 90; |
| COD ID: 1517671 | |
| CIF file | Formula: - C22 H19 F O2 - Comments: 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. 6(1) (2015) 390 Space group: P 1 21/c 1 Cell volume: 1694.9 Cell parameters: 15.5436; 8.7069; 12.5382; 90; 92.769; 90; |
| COD ID: 1517680 | |
| CIF file | Formula: - C39 H36 Ag3 F9 N12 O9.5 S3 - Comments: He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci. 6(1) (2015) 654 Space group: P 1 21/n 1 Cell volume: 4733.8 Cell parameters: 13.528; 20.05; 18.26; 90; 107.1; 90; |
| COD ID: 1517681 | |
| CIF file | Formula: - C40 H36 Ag5 F9 N12 O10 S4 - Comments: He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci. 6(1) (2015) 654 Space group: P 21 21 21 Cell volume: 5195.8 Cell parameters: 10.57; 21.277; 23.103; 90; 90; 90; |
| COD ID: 1517682 | |
| CIF file | Formula: - C75 H72 Ag5 F9 N24 O9 S4 - Comments: He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci. 6(1) (2015) 654 Space group: C 1 2/c 1 Cell volume: 8615 Cell parameters: 23.725; 19.387; 18.732; 90; 90.71; 90; |
| COD ID: 1517683 | |
| CIF file | Formula: - C40 H36 Ag6 F10.5 N12 O16 S4.5 - Comments: He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci. 6(1) (2015) 654 Space group: P b c n Cell volume: 11624 Cell parameters: 12.772; 35.464; 25.664; 90; 90; 90; |
| COD ID: 1517789 | |
| CIF file | Formula: - C51 H54 O6 - Comments: Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju Biphen[n]arenes Chem. Sci. 6(1) (2015) 197 Space group: P -1 Cell volume: 4244.3 Cell parameters: 13.7149; 15.9855; 20.8687; 103.455; 105.879; 93.251; |
| COD ID: 1517790 | |
| CIF file | Formula: - C68 H72 O8 - Comments: Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju Biphen[n]arenes Chem. Sci. 6(1) (2015) 197 Space group: P 1 21/c 1 Cell volume: 2731.2 Cell parameters: 11.5532; 30.664; 7.71; 90; 90.771; 90; |
| COD ID: 1517834 | |
| CIF file | Formula: - C16 H15 N5 O2 - Comments: Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch Chem. Sci. 6(1) (2015) 209 Space group: P 1 21/c 1 Cell volume: 1499.61 Cell parameters: 11.641; 8.7512; 14.7356; 90; 92.598; 90; |
| COD ID: 1517835 | |
| CIF file | Formula: - C19 H20.5 Cl N6.5 O7 Zn - Comments: Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch Chem. Sci. 6(1) (2015) 209 Space group: C 1 2/c 1 Cell volume: 4531.9 Cell parameters: 22.782; 7.5608; 26.996; 90; 102.942; 90; |
| COD ID: 1517851 | |
| CIF file | Formula: - C23 H17 N O6 - Comments: 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. 6(1) (2015) 123 Space group: P b c a Cell volume: 3671.6 Cell parameters: 21.073; 7.448; 23.393; 90; 90; 90; |
| COD ID: 1517852 | |
| CIF file | Formula: - C111 H92 Co4 N16 O16 - Comments: 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. 6(1) (2015) 123 Space group: C 1 2/c 1 Cell volume: 9726 Cell parameters: 16.833; 19.112; 30.84; 90; 101.398; 90; |
| COD ID: 1517853 | |
| CIF file | Formula: - C194 H158 B2 Co8 F8 N24 Na4 O34 - Comments: 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. 6(1) (2015) 123 Space group: P 1 21/c 1 Cell volume: 9445.7 Cell parameters: 18.4101; 17.6277; 30.4003; 90; 106.78; 90; |
| COD ID: 1517854 | |
| CIF file | Formula: - C62 H87 N O7 S U - Comments: 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. 6(1) (2015) 275 Space group: P -1 Cell volume: 2772.5 Cell parameters: 14.4228; 14.8678; 15.4212; 112.831; 96.488; 108.933; |
| COD ID: 1517855 | |
| CIF file | Formula: - C64 H83 N O5 Se U - Comments: 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. 6(1) (2015) 275 Space group: P -1 Cell volume: 5550.2 Cell parameters: 16.827; 17.007; 19.804; 88.022; 80.746; 82.903; |
| COD ID: 1517856 | |
| CIF file | Formula: - C58 H77 N O5 Te U - Comments: 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. 6(1) (2015) 275 Space group: P -1 Cell volume: 2531.7 Cell parameters: 11.2439; 12.9994; 18.636; 102.273; 101.519; 100.806; |
| COD ID: 1517857 | |
| CIF file | Formula: - C124.5 H154.5 N2 O6 S2 U2 - Comments: 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. 6(1) (2015) 275 Space group: P -1 Cell volume: 5361.1 Cell parameters: 11.1756; 16.817; 28.662; 85.233; 87.451; 88.366; |
| COD ID: 1517858 | |
| CIF file | Formula: - C126 H156 N2 O6 Se2 U2 - Comments: 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. 6(1) (2015) 275 Space group: P -1 Cell volume: 5384.5 Cell parameters: 11.217; 16.815; 28.68; 85.324; 87.434; 88.412; |
| COD ID: 1517859 | |
| CIF file | Formula: - C150 H179.5 N2 O6.35 Te2 U2 - Comments: 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. 6(1) (2015) 275 Space group: P -1 Cell volume: 6426.8 Cell parameters: 16.773; 16.923; 25.039; 105.196; 102.968; 101.507; |
| COD ID: 1517871 | |
| CIF file | Formula: - C29 H17 Cl2 F12 Fe Hg3 P5 - Comments: 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. 6(1) (2015) 132 Space group: P -1 Cell volume: 1782.43 Cell parameters: 11.733; 12.1852; 13.1641; 85.129; 80.243; 74.103; |
| COD ID: 1517872 | |
| CIF file | Formula: - C29 H17 As5 Cl2 F12 Fe Hg3 - Comments: 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. 6(1) (2015) 132 Space group: P -1 Cell volume: 1878.24 Cell parameters: 11.9982; 13.3448; 14.1016; 65.329; 78.072; 66.415; |
| COD ID: 1517873 | |
| CIF file | Formula: - C9 H13 Fe P5 - Comments: 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. 6(1) (2015) 132 Space group: P n m a Cell volume: 4063.73 Cell parameters: 11.4347; 23.4865; 15.1315; 90; 90; 90; |
| COD ID: 1517874 | |
| CIF file | Formula: - C13 H21 Fe P5 - Comments: 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. 6(1) (2015) 132 Space group: P c a 21 Cell volume: 1746.1 Cell parameters: 18.7588; 6.5778; 14.1509; 90; 90; 90; |
| COD ID: 1517875 | |
| CIF file | Formula: - C17 H29 Fe P5 - Comments: 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. 6(1) (2015) 132 Space group: P 1 21/c 1 Cell volume: 2120.87 Cell parameters: 9.0507; 25.602; 10.1648; 90; 115.783; 90; |
| COD ID: 1517876 | |
| CIF file | Formula: - C31 H21 F12 Fe Hg3 P5 - Comments: 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. 6(1) (2015) 132 Space group: P -1 Cell volume: 1826.58 Cell parameters: 12.0744; 12.2486; 14.5238; 69.244; 82.395; 65.44; |
| COD ID: 1517877 | |
| CIF file | Formula: - C36.5 H32 Cl3 F12 Fe Hg3 P5 - Comments: 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. 6(1) (2015) 132 Space group: P 1 21 1 Cell volume: 4496.14 Cell parameters: 12.3145; 26.4751; 14.4338; 90; 107.168; 90; |
| COD ID: 1517878 | |
| CIF file | Formula: - C55 H53 As15 F12 Fe3 Hg3 - Comments: 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. 6(1) (2015) 132 Space group: C 1 2/c 1 Cell volume: 14304.9 Cell parameters: 48.2155; 14.138; 22.3159; 90; 109.887; 90; |
| COD ID: 1517879 | |
| CIF file | Formula: - C19 H2 Cl2 F12 Hg3 - Comments: 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. 6(1) (2015) 132 Space group: P -1 Cell volume: 1081.75 Cell parameters: 9.2776; 9.7199; 12.7689; 103.463; 100.8; 97.447; |
| COD ID: 1517880 | |
| CIF file | Formula: - C28 H15 Cl2 F12 Fe Hg3 P5 - Comments: 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. 6(1) (2015) 132 Space group: P -1 Cell volume: 1806.94 Cell parameters: 11.6373; 11.8015; 15.7005; 89.754; 68.252; 66.286; |
| COD ID: 1517881 | |
| CIF file | Formula: - C26 H24 F18 Li2 O2 - Comments: 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. 6(1) (2015) 308 Space group: P -1 Cell volume: 1539.05 Cell parameters: 9.0486; 12.7853; 14.6892; 84.024; 74.906; 69.739; |
| COD ID: 1517882 | |
| CIF file | Formula: - C28 H17 B F18 - Comments: 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. 6(1) (2015) 308 Space group: P 1 21/n 1 Cell volume: 2765.78 Cell parameters: 9.1239; 24.4308; 12.5042; 90; 97.114; 90; |
| COD ID: 1517883 | |
| CIF file | Formula: - C36 H36 B N - Comments: 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. 6(1) (2015) 308 Space group: P 1 21/n 1 Cell volume: 2831.26 Cell parameters: 8.8391; 34.0268; 9.5807; 90; 100.72; 90; |
| COD ID: 1517884 | |
| CIF file | Formula: - C36 H18 B F18 N - Comments: 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. 6(1) (2015) 308 Space group: I 41 Cell volume: 13909.5 Cell parameters: 23.5023; 23.5023; 25.182; 90; 90; 90; |
| COD ID: 1517885 | |
| CIF file | Formula: - C24 H9 B F18 - Comments: 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. 6(1) (2015) 308 Space group: P b c a Cell volume: 4830 Cell parameters: 15.56; 8.7136; 35.624; 90; 90; 90; |
| COD ID: 1517951 | |
| CIF file | Formula: - C252 H276 Co4 F36 N48 P6 - Comments: 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. 6(1) (2015) 756 Space group: R -3 Cell volume: 57278 Cell parameters: 30.5162; 30.5162; 71.022; 90; 90; 120; |
| COD ID: 1517963 | |
| CIF file | Formula: - F0.5 O32.5 Si16 - Comments: 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. 6(1) (2015) 480 Space group: I m m m Cell volume: 10562.1 Cell parameters: 26.585; 24.926; 15.939; 90; 90; 90; |
| COD ID: 1517964 | |
| CIF file | Formula: - C36 H30 Cl4 Ni P2 - Comments: 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. 6(2) (2015) 917 Space group: P b c a Cell volume: 6592 Cell parameters: 17.435; 15.662; 24.139; 90; 90; 90; |
| COD ID: 1517965 | |
| CIF file | Formula: - C18 H15 Cl2 P - Comments: 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. 6(2) (2015) 917 Space group: P 1 21/c 1 Cell volume: 1637 Cell parameters: 13.338; 14.376; 8.7454; 90; 102.53; 90; |
| COD ID: 1517966 | |
| CIF file | Formula: - C19 H15 Cl F3 O3 P S - Comments: 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. 6(2) (2015) 917 Space group: P 1 21/n 1 Cell volume: 1918.8 Cell parameters: 11.255; 9.1501; 18.658; 90; 93.04; 90; |
| COD ID: 1517967 | |
| CIF file | Formula: - C40 H48 Cl4 Ni O4 P2 - Comments: 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. 6(2) (2015) 917 Space group: P 1 21/n 1 Cell volume: 4061.4 Cell parameters: 10.1261; 23.4579; 17.8192; 90; 106.355; 90; |
| COD ID: 1517970 | |
| CIF file | Formula: - C12 H12 Au Br2 N O - Comments: 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. 6(1) (2015) 288 Space group: P -1 Cell volume: 708.82 Cell parameters: 7.0801; 10.0993; 10.1771; 97.689; 99.69; 92.96; |
| COD ID: 1517971 | |
| CIF file | Formula: - C18 H15 Au Br N - Comments: 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. 6(1) (2015) 288 Space group: P b c a Cell volume: 3148.98 Cell parameters: 15.9554; 11.7205; 16.839; 90; 90; 90; |
| COD ID: 1517972 | |
| CIF file | Formula: - C18 H16 Au Cl2 N - Comments: 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. 6(1) (2015) 288 Space group: P -1 Cell volume: 876.93 Cell parameters: 7.8572; 8.2744; 15.3789; 93.413; 103.381; 113.776; |
| COD ID: 1517979 | |
| CIF file | Formula: - C19 H16 N2 O3 - Comments: 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. 6(1) (2015) 457 Space group: P 1 21 1 Cell volume: 1539.33 Cell parameters: 6.8436; 26.8023; 8.3932; 90; 90.9; 90; |
| COD ID: 1517980 | |
| CIF file | Formula: - C19 H16 N2 O3 - Comments: 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. 6(1) (2015) 457 Space group: P 1 21 1 Cell volume: 1542.63 Cell parameters: 6.8507; 26.777; 8.4103; 90; 90.84; 90; |
| COD ID: 1517981 | |
| CIF file | Formula: - C26 H22 N2 O3 - Comments: 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. 6(1) (2015) 457 Space group: P 1 21 1 Cell volume: 1017.11 Cell parameters: 5.4249; 16.5948; 11.417; 90; 98.277; 90; |
| COD ID: 1517982 | |
| CIF file | Formula: - C26 H22 N2 O3 - Comments: 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. 6(1) (2015) 457 Space group: P 1 21 1 Cell volume: 1018.05 Cell parameters: 5.4288; 16.6067; 11.4114; 90; 98.2867; 90; |
| COD ID: 1517983 | |
| CIF file | Formula: - C57 H49.5 Eu N6 O11.5 - Comments: 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. 6(1) (2015) 457 Space group: C 2 2 21 Cell volume: 21165.6 Cell parameters: 26.0015; 26.4029; 30.8305; 90; 90; 90; |
| COD ID: 1517990 | |
| CIF file | Formula: - C197.82 H137.82 Cl5.46 - Comments: 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. 6(2) (2015) 909 Space group: C 1 2 1 Cell volume: 29229 Cell parameters: 53.108; 21.244; 26.197; 90; 98.53; 90; |
| COD ID: 1518019 | |
| CIF file | Formula: - C36 H66 Al Cl5 P2 Pb Pt - Comments: 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. 6(1) (2015) 425 Space group: P c a 21 Cell volume: 8685.7 Cell parameters: 25.2527; 13.9068; 24.7327; 90; 90; 90; |
| COD ID: 1518020 | |
| CIF file | Formula: - C120 H156 B2 Cl18 P4 Pb2 Pt2 - Comments: 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. 6(1) (2015) 425 Space group: P -1 Cell volume: 3054.9 Cell parameters: 10.5092; 15.3892; 20.0776; 109.785; 90.439; 90.796; |
| COD ID: 1518021 | |
| CIF file | Formula: - C36 H66 Al Cl4 I P2 Pb Pt - Comments: 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. 6(1) (2015) 425 Space group: P -1 Cell volume: 2291 Cell parameters: 13.381; 13.612; 13.987; 92.698; 111.864; 101.984; |
| COD ID: 1518022 | |
| CIF file | Formula: - C36 H66 Al2 Cl8 P2 Pb Pt - Comments: 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. 6(1) (2015) 425 Space group: C 1 2/c 1 Cell volume: 4923.1 Cell parameters: 20.719; 10.6901; 23.859; 90; 111.311; 90; |
| COD ID: 1518023 | |
| CIF file | Formula: - C72 H132 Br2 P4 Pt2 Sn - Comments: 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. 6(1) (2015) 425 Space group: P -1 Cell volume: 3643.1 Cell parameters: 13.9687; 14.2448; 21.1628; 96.439; 101.9; 114.878; |
| COD ID: 1518024 | |
| CIF file | Formula: - C36 H66 Al Br5 P2 Pt Sn - Comments: 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. 6(1) (2015) 425 Space group: P -1 Cell volume: 2245.2 Cell parameters: 11.5394; 12.469; 17.7; 105.191; 100.053; 107.994; |
| COD ID: 1518025 | |
| CIF file | Formula: - C60 H78 B Br Cl8 P2 Pt Sn - Comments: 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. 6(1) (2015) 425 Space group: P -1 Cell volume: 3169.9 Cell parameters: 13.5049; 15.4437; 15.6528; 82.203; 78.913; 85.651; |
| COD ID: 1518026 | |
| CIF file | Formula: - C36 H66 Al2 Br8 P2 Pt Sn - Comments: 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. 6(1) (2015) 425 Space group: P 1 21/n 1 Cell volume: 5104.1 Cell parameters: 13.2989; 22.907; 16.964; 90; 99.008; 90; |
| COD ID: 1518027 | |
| CIF file | Formula: - C56 H110 Br3 N O P2 Pt Sn - Comments: 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. 6(1) (2015) 425 Space group: P -1 Cell volume: 6617 Cell parameters: 15.687; 20.715; 21.567; 75.297; 82.231; 78.538; |
| COD ID: 1518028 | |
| CIF file | Formula: - C36 H49.5 Cl F12 Fe Li2 N O6 - Comments: 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. 6(1) (2015) 608 Space group: P -1 Cell volume: 2125.4 Cell parameters: 12.26; 12.5792; 15.8788; 75.171; 71.664; 67.768; |
| COD ID: 1518079 | |
| CIF file | Formula: - C12 As2 F21 Se2 - Comments: 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. 6(1) (2015) 497 Space group: P -1 Cell volume: 1025.1 Cell parameters: 8.5406; 8.5891; 14.093; 84.9; 84.781; 88.091; |
| COD ID: 1518080 | |
| CIF file | Formula: - C48 H50 S2 - Comments: 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. 6(1) (2015) 497 Space group: P 1 21/n 1 Cell volume: 3891.7 Cell parameters: 15.695; 15.264; 16.274; 90; 93.45; 90; |
| COD ID: 1518081 | |
| CIF file | Formula: - C48 H50 F6 S2 Sb - Comments: 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. 6(1) (2015) 497 Space group: P 1 21/n 1 Cell volume: 4434.3 Cell parameters: 16.17; 15.837; 17.339; 90; 92.97; 90; |
| COD ID: 1518082 | |
| CIF file | Formula: - C49 H52 Cl2 F6 Sb Se2 - Comments: 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. 6(1) (2015) 497 Space group: P 1 21/c 1 Cell volume: 4859 Cell parameters: 19.147; 15.238; 16.653; 90; 90.08; 90; |
| COD ID: 1518083 | |
| CIF file | Formula: - C51 H55 F6 N Sb Te2 - Comments: 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. 6(1) (2015) 497 Space group: C 1 2/c 1 Cell volume: 5019 Cell parameters: 19.854; 14.726; 17.178; 90; 92.07; 90; |
| COD ID: 1518084 | |
| CIF file | Formula: - C12 F21 S2 Sb2 - Comments: 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. 6(1) (2015) 497 Space group: P 1 21/n 1 Cell volume: 2113.3 Cell parameters: 12.029; 12.276; 14.44; 90; 97.662; 90; |
| COD ID: 1518097 | |
| CIF file | Formula: - C60 H78 Cl2 Ir N2 O6.5 P2 S2 - Comments: 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. 6(2) (2015) 1027 Space group: P -1 Cell volume: 3226 Cell parameters: 11.6106; 17.2668; 18.6161; 113.198; 95.475; 105.211; |
| COD ID: 1518098 | |
| CIF file | Formula: - C30 H25 N O4 - Comments: Berger, Reinhard; Wagner, Manfred; Feng, Xinliang; Müllen, Klaus Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics Chem. Sci. 6(1) (2015) 436 Space group: P -1 Cell volume: 2295 Cell parameters: 12.1231; 12.9429; 17.2915; 95.734; 108.021; 113.144; |
| COD ID: 1518099 | |
| CIF file | Formula: - C38.5 H20 Cl F10 N - Comments: Berger, Reinhard; Wagner, Manfred; Feng, Xinliang; Müllen, Klaus Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics Chem. Sci. 6(1) (2015) 436 Space group: P -1 Cell volume: 3083.7 Cell parameters: 12.6166; 16.35; 16.738; 87.227; 75.478; 67.501; |
| COD ID: 1518139 | |
| CIF file | Formula: - C40 H60 Cu3 K N8 O54 Ru Si W11 - Comments: 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. 6(2) (2015) 1035 Space group: P -4 21 m Cell volume: 9142 Cell parameters: 24.415; 24.415; 15.337; 90; 90; 90; |
| COD ID: 1518140 | |
| CIF file | Formula: - C40 H58 Cu2 K N8 O52 Ru Si W11 - Comments: 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. 6(2) (2015) 1035 Space group: P c c n Cell volume: 8835.3 Cell parameters: 17.8663; 22.1923; 22.2835; 90; 90; 90; |
| COD ID: 1518141 | |
| CIF file | Formula: - C13 H14 N2 O2 - Comments: Brachet, E.; Ghosh, T.; Ghosh, I.; König, B. Visible light C‒H amidation of heteroarenes with benzoyl azides Chem. Sci. 6(2) (2015) 987 Space group: P 1 21/c 1 Cell volume: 2372.35 Cell parameters: 11.6434; 10.03245; 20.857; 90; 103.161; 90; |
| COD ID: 1518142 | |
| CIF file | Formula: - C13 H10 N2 O4 - Comments: 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. 6(2) (2015) 1043 Space group: P 1 21/n 1 Cell volume: 1178.81 Cell parameters: 8.3156; 9.9732; 14.574; 90; 102.762; 90; |
| COD ID: 1518143 | |
| CIF file | Formula: - C13 H9 N2 O4 - Comments: 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. 6(2) (2015) 1043 Space group: P 1 21 1 Cell volume: 1197.51 Cell parameters: 8.3745; 10.0838; 14.5833; 90; 103.496; 90; |
| COD ID: 1518144 | |
| CIF file | Formula: - C13 H9 F N2 O4 - Comments: 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. 6(2) (2015) 1043 Space group: P 1 21/c 1 Cell volume: 1175.11 Cell parameters: 7.24677; 14.8112; 11.0943; 90; 99.3083; 90; |
| COD ID: 1518145 | |
| CIF file | Formula: - C13 H9 F N2 O4 - Comments: 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. 6(2) (2015) 1043 Space group: P 1 21 1 Cell volume: 583.14 Cell parameters: 7.1667; 5.2718; 15.7374; 90; 101.26; 90; |
| COD ID: 1518146 | |
| CIF file | Formula: - C13 H9 F N2 O4 - Comments: 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. 6(2) (2015) 1043 Space group: P 1 21 1 Cell volume: 576.63 Cell parameters: 7.1322; 5.2282; 15.7662; 90; 101.237; 90; |
| COD ID: 1518147 | |
| CIF file | Formula: - C13 H9 F N2 O4 - Comments: 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. 6(2) (2015) 1043 Space group: P 21 21 21 Cell volume: 1209.65 Cell parameters: 6.56098; 13.5445; 13.6122; 90; 90; 90; |
| COD ID: 1518148 | |
| CIF file | Formula: - C12 H40 B4 N4 O6 - Comments: 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. 6(1) (2015) 618 Space group: P 1 21/n 1 Cell volume: 2201.4 Cell parameters: 16.026; 8.7017; 17.485; 90; 115.469; 90; |
| COD ID: 1518149 | |
| CIF file | Formula: - C4 H26 B4 N4 O2 - Comments: 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. 6(1) (2015) 618 Space group: P -1 Cell volume: 680.64 Cell parameters: 6.9419; 8.8077; 12.4471; 91.79; 103.761; 111.731; |
| COD ID: 1518154 | |
| CIF file | Formula: - C22 H22.5 B Cl Cr F4 N4.5 O3 - Comments: 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. 6(2) (2015) 945 Space group: P b c n Cell volume: 4874.5 Cell parameters: 14.5572; 13.9044; 24.0822; 90; 90; 90; |
| COD ID: 1518155 | |
| CIF file | Formula: - C21 H20 B2 Cr F8 N5 O2 - Comments: 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. 6(2) (2015) 945 Space group: P 1 21/c 1 Cell volume: 2419.7 Cell parameters: 9.683; 22.83; 11.317; 90; 104.712; 90; |
| COD ID: 1518167 | |
| CIF file | Formula: - C51 H99 K N2 O6 Si6 Th - Comments: 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. 6(1) (2015) 517 Space group: P -1 Cell volume: 3246.1 Cell parameters: 12.1595; 12.7622; 22.2587; 100.93; 104.448; 95.5814; |
| COD ID: 1518168 | |
| CIF file | Formula: - C53 H103 K O8 Si6 Th - Comments: 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. 6(1) (2015) 517 Space group: P 1 21/n 1 Cell volume: 6915.8 Cell parameters: 17.1884; 18.0161; 22.654; 90; 99.6558; 90; |
| COD ID: 1518169 | |
| CIF file | Formula: - C33 H63 Si6 Th - Comments: 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. 6(1) (2015) 517 Space group: P 1 21/c 1 Cell volume: 4244.2 Cell parameters: 17.547; 13.6955; 19.1293; 90; 112.595; 90; |
| COD ID: 1518170 | |
| CIF file | Formula: - C30 H50 Si4 Th - Comments: 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. 6(1) (2015) 517 Space group: C 1 2/c 1 Cell volume: 3292.1 Cell parameters: 20.2007; 8.1694; 19.9544; 90; 91.3531; 90; |
| COD ID: 1518200 | |
| CIF file | Formula: - C28 H20 N4 - Comments: 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. 6(2) (2015) 973 Space group: P -1 Cell volume: 1081.87 Cell parameters: 7.8497; 10.7861; 14.7876; 109.56; 91.8983; 111.312; |
| COD ID: 1518209 | |
| CIF file | Formula: - C11 H7 Au Cl2 F N - Comments: 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. 6(2) (2015) 981 Space group: P 1 21/c 1 Cell volume: 1084.5 Cell parameters: 9.1445; 7.8648; 15.71; 90; 106.294; 90; |
| COD ID: 1518210 | |
| CIF file | Formula: - C24 H18 Au F2 N - Comments: 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. 6(2) (2015) 981 Space group: P -1 Cell volume: 3908.3 Cell parameters: 14.8527; 16.3867; 17.62; 90.156; 91.414; 114.256; |
| COD ID: 1518211 | |
| CIF file | Formula: - C27 H20 Au Cl2 F6 N - Comments: 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. 6(2) (2015) 981 Space group: P -1 Cell volume: 1258.9 Cell parameters: 9.334; 11.4331; 12.8416; 73.407; 81.938; 73.869; |
| COD ID: 1518212 | |
| CIF file | Formula: - C24 H18 Au N3 O4 - Comments: 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. 6(2) (2015) 981 Space group: P b c n Cell volume: 4130.7 Cell parameters: 11.1263; 14.1527; 26.2319; 90; 90; 90; |
| COD ID: 1518213 | |
| CIF file | Formula: - C28 H20 Au N S2 - Comments: 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. 6(2) (2015) 981 Space group: I 41/a Cell volume: 9231.1 Cell parameters: 35.5669; 35.5669; 7.2973; 90; 90; 90; |
| COD ID: 1518214 | |
| CIF file | Formula: - C26 H24 Au N - Comments: 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. 6(2) (2015) 981 Space group: P 1 21/n 1 Cell volume: 2049.8 Cell parameters: 7.5722; 16.2301; 16.7076; 90; 93.349; 90; |
| COD ID: 1518215 | |
| CIF file | Formula: - C30 H32 Au N O2 - Comments: 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. 6(2) (2015) 981 Space group: C 1 2/c 1 Cell volume: 5525.8 Cell parameters: 19.4071; 15.6565; 19.6251; 90; 112.078; 90; |
| COD ID: 1518216 | |
| CIF file | Formula: - C18 H14 Au Cl F N - Comments: 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. 6(2) (2015) 981 Space group: P 1 21/c 1 Cell volume: 1538.3 Cell parameters: 9.4066; 13.227; 13.1786; 90; 110.251; 90; |
| COD ID: 1518217 | |
| CIF file | Formula: - C22 H17 Au Cl N - Comments: 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. 6(2) (2015) 981 Space group: P 1 21/c 1 Cell volume: 1752.7 Cell parameters: 10.34; 18.881; 9.579; 90; 110.408; 90; |
| COD ID: 1518218 | |
| CIF file | Formula: - C20.62 H17.23 Au Cl1.23 N O - Comments: 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. 6(2) (2015) 981 Space group: P c a 21 Cell volume: 1796.79 Cell parameters: 22.3204; 11.4097; 7.0554; 90; 90; 90; |
| COD ID: 1518232 | |
| CIF file | Formula: - C48 H30 F6 O4 - Comments: 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. 6(2) (2015) 1139 Space group: C 1 2/c 1 Cell volume: 3961.57 Cell parameters: 13.07527; 16.18867; 19.01027; 90; 100.1; 90; |
| COD ID: 1518233 | |
| CIF file | Formula: - C47 H28 Cl2 F6 O2 - Comments: 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. 6(2) (2015) 1139 Space group: P -1 Cell volume: 1967.5 Cell parameters: 12.5119; 12.6648; 14.9565; 70.805; 66.621; 67.665; |
| COD ID: 1518234 | |
| CIF file | Formula: - C49 H25 Cl3 F12 O2 - Comments: 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. 6(2) (2015) 1139 Space group: P 1 21/c 1 Cell volume: 4476.3 Cell parameters: 12.8182; 35.815; 9.7626; 90; 92.841; 90; |
| COD ID: 1518242 | |
| CIF file | Formula: - C81 H86 Cl6 N6 O8 Rh2 - Comments: 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. 6(2) (2015) 1094 Space group: P 21 21 21 Cell volume: 7625 Cell parameters: 13.919; 19.144; 28.616; 90; 90; 90; |
| COD ID: 1518243 | |
| CIF file | Formula: - C39 H40 Cl2 F6 N4 O2 P Rh - Comments: 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. 6(2) (2015) 1094 Space group: P 21 21 21 Cell volume: 4037.8 Cell parameters: 13.1445; 13.6427; 22.5166; 90; 90; 90; |
| COD ID: 1518244 | |
| CIF file | Formula: - C14 H18 N2 O5 - Comments: 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. 6(2) (2015) 1094 Space group: P 21 21 21 Cell volume: 1456.24 Cell parameters: 5.4571; 15.3289; 17.4084; 90; 90; 90; |
| COD ID: 1518245 | |
| CIF file | Formula: - C22 H26 N2 O4 - Comments: 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. 6(2) (2015) 1094 Space group: P 1 21/c 1 Cell volume: 2036.88 Cell parameters: 10.1905; 11.5731; 17.4203; 90; 97.5045; 90; |
| COD ID: 1518246 | |
| CIF file | Formula: - C51 H52 Cl4 F6 N4 O3 P Rh - Comments: 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. 6(2) (2015) 1094 Space group: P n a 21 Cell volume: 5347.4 Cell parameters: 17.7761; 22.9437; 13.1111; 90; 90; 90; |
| COD ID: 1518247 | |
| CIF file | Formula: - C47 H45 Cl2 Ir N4 O3 - Comments: 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. 6(2) (2015) 1094 Space group: C 1 2/c 1 Cell volume: 8227.1 Cell parameters: 38.9286; 13.3583; 17.0015; 90; 111.479; 90; |
| COD ID: 1518248 | |
| CIF file | Formula: - C98 H110 B Cl2 F20 N6 Nb2 - Comments: 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. 6(2) (2015) 993 Space group: P 1 21/c 1 Cell volume: 9660 Cell parameters: 14.224; 21.737; 31.247; 90; 90.83; 90; |
| COD ID: 1518249 | |
| CIF file | Formula: - C65 H66 B F20 N3 Nb O2 - Comments: 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. 6(2) (2015) 993 Space group: P 1 21/c 1 Cell volume: 6132.4 Cell parameters: 18.1669; 17.1279; 19.7092; 90; 90.559; 90; |
| COD ID: 1518250 | |
| CIF file | Formula: - C95 H110 B Cl9 F20 N6 Nb2 - Comments: 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. 6(2) (2015) 993 Space group: P 1 21/c 1 Cell volume: 9827.8 Cell parameters: 20.744; 20.888; 22.683; 90; 90.709; 90; |
| COD ID: 1518251 | |
| CIF file | Formula: - C61 H60 B Cl0 F20 N4 Nb - Comments: 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. 6(2) (2015) 993 Space group: P 1 n 1 Cell volume: 6547 Cell parameters: 15.2666; 16.9177; 25.577; 90; 97.658; 90; |
| COD ID: 1518252 | |
| CIF file | Formula: - C24 H28 B2 Cl6 Fe N8 O6 - Comments: 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. 6(2) (2015) 1004 Space group: C 1 2/c 1 Cell volume: 3505.8 Cell parameters: 24.287; 8.1945; 20.396; 90; 120.269; 90; |
| COD ID: 1518253 | |
| CIF file | Formula: - C31 H44 B2 Fe N8 O9 - Comments: 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. 6(2) (2015) 1004 Space group: P -1 Cell volume: 1759.4 Cell parameters: 10.435; 12.522; 14.568; 110.05; 98.25; 92.93; |
| COD ID: 1518254 | |
| CIF file | Formula: - C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6 - Comments: 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. 6(2) (2015) 1004 Space group: F 4 3 2 Cell volume: 459764 Cell parameters: 77.1812; 77.1812; 77.1812; 90; 90; 90; |
| COD ID: 1518255 | |
| CIF file | Formula: - C193 H230 B12 Fe6 N59 O53 Pd3 - Comments: 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. 6(2) (2015) 1004 Space group: P -1 Cell volume: 12790 Cell parameters: 24.07; 25.09; 26.26; 111.25; 101.84; 110.6; |
| COD ID: 1518256 | |
| CIF file | Formula: - C453.5 H476.75 B33.75 F9 Fe12 N100.75 O83.5 Pd6 - Comments: 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. 6(2) (2015) 1004 Space group: P -1 Cell volume: 61382 Cell parameters: 37.76; 37.914; 49.64; 109.87; 111.57; 90.72; |
| COD ID: 1518257 | |
| CIF file | Formula: - C350 H400 B24 Fe12 N105 O99 Pd6 - Comments: 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. 6(2) (2015) 1004 Space group: P -1 Cell volume: 37375 Cell parameters: 26.3697; 37.7311; 41.401; 113.826; 96.68; 90.021; |
| COD ID: 1518278 | |
| CIF file | Formula: - C20 H20 N2 O3 S - Comments: 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. 6(2) (2015) 1265 Space group: C 1 2/c 1 Cell volume: 3732.5 Cell parameters: 11.5572; 15.5085; 20.8957; 90; 94.733; 90; |
| COD ID: 1518279 | |
| CIF file | Formula: - C24 H20 N2 O2 - Comments: 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. 6(2) (2015) 1252 Space group: P 21 21 21 Cell volume: 1855.95 Cell parameters: 7.58; 13.2149; 18.5282; 90; 90; 90; |
| COD ID: 1518308 | |
| CIF file | Formula: - C90 H64 F24 N14 P4 Ru2 - Comments: 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. 6(2) (2015) 1308 Space group: P -1 Cell volume: 4949 Cell parameters: 13.811; 18.252; 20.803; 84.81; 82.76; 72.33; |
| COD ID: 1518338 | |
| CIF file | Formula: - C36 H54 F18 N15 P3 Ru3 S9 - Comments: 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. 6(2) (2015) 1334 Space group: C 1 2 1 Cell volume: 6053.6 Cell parameters: 27.5079; 16.0629; 14.4082; 90; 108.033; 90; |
| COD ID: 1518339 | |
| CIF file | Formula: - C15 H12 Au N O2 - Comments: 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. 6(2) (2015) 1491 Space group: P -1 Cell volume: 1320.8 Cell parameters: 7.3807; 11.755; 15.94; 102.912; 92.025; 100.595; |
| COD ID: 1518340 | |
| CIF file | Formula: - C15 H12 Au N O2 - Comments: 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. 6(2) (2015) 1491 Space group: P -1 Cell volume: 673.93 Cell parameters: 6.0552; 7.0297; 15.9689; 96.315; 93.979; 90.279; |
| COD ID: 1518342 | |
| CIF file | Formula: - C33 H27 Br N2 O4 - Comments: Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci. 6(2) (2015) 1350 Space group: P 1 21 1 Cell volume: 2662.23 Cell parameters: 9.7143; 22.5934; 12.6641; 90; 106.703; 90; |
| COD ID: 1518343 | |
| CIF file | Formula: - C33 H28 N2 O4 - Comments: Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci. 6(2) (2015) 1350 Space group: P 21 21 21 Cell volume: 2599.46 Cell parameters: 12.1648; 12.4912; 17.107; 90; 90; 90; |
| COD ID: 1518344 | |
| CIF file | Formula: - C24 H26 N2 O5 - Comments: Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci. 6(2) (2015) 1350 Space group: P 1 Cell volume: 1047.35 Cell parameters: 6.25441; 12.592; 13.61853; 100.755; 92.7028; 95.0674; |
| COD ID: 1518345 | |
| CIF file | Formula: - C22 H22 N2 O5 - Comments: Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci. 6(2) (2015) 1350 Space group: P 1 21 1 Cell volume: 941.82 Cell parameters: 12.14306; 6.28576; 13.0165; 90; 108.566; 90; |
| COD ID: 1518346 | |
| CIF file | Formula: - C8 H4 Cr2 O8 P2 - Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379 Space group: C m c a Cell volume: 1381.06 Cell parameters: 12.2545; 11.5949; 9.7196; 90; 90; 90; |
| COD ID: 1518347 | |
| CIF file | Formula: - C8 H4 O8 P2 W2 - Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379 Space group: C m c a Cell volume: 1523.3 Cell parameters: 12.4977; 12.0462; 10.1185; 90; 90; 90; |
| COD ID: 1518348 | |
| CIF file | Formula: - C7 H7 Cr2 O7 P3 - Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379 Space group: P -1 Cell volume: 362.43 Cell parameters: 6.9134; 7.3239; 8.761; 111.796; 92.15; 115.204; |
| COD ID: 1518352 | |
| CIF file | Formula: - C3 H3 Cl Cu N3 S3 - Comments: 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. 6(2) (2015) 1465 Space group: P a -3 Cell volume: 1601.9 Cell parameters: 11.70071; 11.70071; 11.70071; 90; 90; 90; |
| COD ID: 1518353 | |
| CIF file | Formula: - C3 H3 Cl Cu N3 S3 - Comments: 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. 6(2) (2015) 1465 Space group: P a -3 Cell volume: 1621.05 Cell parameters: 11.74713; 11.74713; 11.74713; 90; 90; 90; |
| COD ID: 1518354 | |
| CIF file | Formula: - C3 H3 Cl Cu N3 S3 - Comments: 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. 6(2) (2015) 1465 Space group: P a -3 Cell volume: 1638.2 Cell parameters: 11.78842; 11.78842; 11.78842; 90; 90; 90; |
| COD ID: 1518355 | |
| CIF file | Formula: - C32 H44 K N2 O13 Rh - Comments: Murphy, Stephen K.; Bruch, Achim; Dong, Vy M. Mechanistic insights into hydroacylation with non-chelating aldehydes Chemical Science 6(1) (2015) 174-180 Space group: C 1 c 1 Cell volume: 3686.2 Cell parameters: 13.6052; 19.6523; 14.3113; 90; 105.559; 90; |
| COD ID: 1518358 | |
| CIF file | Formula: - C18 H32 N4 Pd - Comments: 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. 6(2) (2015) 1426 Space group: P 1 21/c 1 Cell volume: 1012.98 Cell parameters: 9.5147; 8.7236; 12.2763; 90; 96.21; 90; |
| COD ID: 1518359 | |
| CIF file | Formula: - C28 H50 Cl4 N6 Pd - Comments: 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. 6(2) (2015) 1426 Space group: P -1 Cell volume: 1731.26 Cell parameters: 9.5437; 12.6519; 14.7569; 81.229; 83.044; 81.137; |
| COD ID: 1518360 | |
| CIF file | Formula: - C145 H149 Cl6 Cs3 N8 O14 - Comments: 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. 6(2) (2015) 1404 Space group: P -1 Cell volume: 3366.6 Cell parameters: 11.649; 18.299; 18.362; 60.833; 80.132; 86.221; |
| COD ID: 1518361 | |
| CIF file | Formula: - C74 H78 Cl6 Cs F N4 O8 - Comments: 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. 6(2) (2015) 1404 Space group: P -1 Cell volume: 3521.7 Cell parameters: 12.5824; 16.3849; 18.0859; 89.08; 89.123; 70.854; |
| COD ID: 1518362 | |
| CIF file | Formula: - C82 H92 N4 O12 - Comments: 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. 6(2) (2015) 1404 Space group: P -1 Cell volume: 7602 Cell parameters: 16.284; 21.681; 24.254; 65.823; 87.933; 77.172; |
| COD ID: 1518363 | |
| CIF file | Formula: - C75 H71 Cl3 N4 O12 - Comments: 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. 6(2) (2015) 1404 Space group: P 1 21/c 1 Cell volume: 6532 Cell parameters: 18.865; 17.828; 20.315; 90; 107.064; 90; |
| COD ID: 1518364 | |
| CIF file | Formula: - C81 H94 Cl6 F N5 O6 - Comments: 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. 6(2) (2015) 1404 Space group: P 1 21/n 1 Cell volume: 7577 Cell parameters: 18.1082; 20.262; 21.408; 90; 105.284; 90; |
| COD ID: 1518365 | |
| CIF file | Formula: - C78 H81 N7 O6 - Comments: 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. 6(2) (2015) 1404 Space group: P 1 21/n 1 Cell volume: 6844.6 Cell parameters: 19.8344; 17.7442; 20.5845; 90; 109.128; 90; |
| COD ID: 1518366 | |
| CIF file | Formula: - C74 H77 Cl4 Cs N4 O7 - Comments: 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. 6(2) (2015) 1404 Space group: P 1 2/n 1 Cell volume: 14087.7 Cell parameters: 28.4416; 17.3237; 28.5922; 90; 90.135; 90; |
| COD ID: 1518367 | |
| CIF file | Formula: - C74 H77 Cl3 Cs F N4 O7 - Comments: 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. 6(2) (2015) 1404 Space group: P 1 21/n 1 Cell volume: 6909 Cell parameters: 17.1643; 20.272; 20.1109; 90; 99.129; 90; |
| COD ID: 1518368 | |
| CIF file | Formula: - C163 H193 Cl6 F2 N10 O15 - Comments: 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. 6(2) (2015) 1404 Space group: P -1 Cell volume: 8315.5 Cell parameters: 17.7069; 19.2391; 27.8205; 71.903; 75.381; 69.249; |
| COD ID: 1518371 | |
| CIF file | Formula: - C279.28 H164 N37 O100 - Comments: 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. 6(2) (2015) 1420 Space group: C 1 2/c 1 Cell volume: 7205.1 Cell parameters: 33.067; 14.8252; 17.1809; 90; 121.19; 90; |
| COD ID: 1518372 | |
| CIF file | Formula: - C69 H35 Mg4 N7 O30 - Comments: 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. 6(2) (2015) 1420 Space group: P 1 2/c 1 Cell volume: 6082.6 Cell parameters: 34.3413; 10.0447; 17.7382; 90; 96.234; 90; |
| COD ID: 1518407 | |
| CIF file | Formula: - C74 H86 N6 O3 - Comments: 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. 6(2) (2015) 1562 Space group: P -1 Cell volume: 3335.2 Cell parameters: 9.827; 16.9659; 21.6298; 69.273; 81.505; 87.976; |
| COD ID: 1518408 | |
| CIF file | Formula: - C86 H92 Cl18 N6 O3 - Comments: 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. 6(2) (2015) 1562 Space group: P -1 Cell volume: 4426 Cell parameters: 15.4721; 16.3717; 19.0278; 92.068; 110.731; 99.28; |
| COD ID: 1518409 | |
| CIF file | Formula: - C28 H20 N2 - Comments: 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. 6(3) (2015) 1932 Space group: P 21 21 21 Cell volume: 2025.6 Cell parameters: 5.9763; 11.5786; 29.273; 90; 90; 90; |
| COD ID: 1518410 | |
| CIF file | Formula: - C40 H28 N2 - Comments: 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. 6(3) (2015) 1932 Space group: P -1 Cell volume: 1463.4 Cell parameters: 10.6571; 11.1264; 13.1685; 88; 76.566; 74.575; |
| COD ID: 1518411 | |
| CIF file | Formula: - C42 H32 N2 O2 - Comments: 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. 6(3) (2015) 1932 Space group: P -1 Cell volume: 1589.02 Cell parameters: 11.1806; 11.4458; 12.861; 101.527; 91.283; 99.274; |
| COD ID: 1518412 | |
| CIF file | Formula: - C32 H28 N2 O4 - Comments: 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. 6(3) (2015) 1932 Space group: P -1 Cell volume: 1308.1 Cell parameters: 9.768; 12.3063; 12.4687; 68.542; 70.492; 88.089; |
| COD ID: 1518432 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 755.9 Cell parameters: 10.336; 14.852; 4.924; 90; 90; 90; |
| COD ID: 1518433 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 733.3 Cell parameters: 10.26; 14.837; 4.8169; 90; 90; 90; |
| COD ID: 1518434 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 722.9 Cell parameters: 10.22; 14.832; 4.7689; 90; 90; 90; |
| COD ID: 1518435 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 718.5 Cell parameters: 10.218; 14.823; 4.7439; 90; 90; 90; |
| COD ID: 1518436 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 707.5 Cell parameters: 10.181; 14.808; 4.693; 90; 90; 90; |
| COD ID: 1518437 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 685.7 Cell parameters: 10.11; 14.808; 4.5801; 90; 90; 90; |
| COD ID: 1518438 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 675.4 Cell parameters: 10.06; 14.798; 4.537; 90; 90; 90; |
| COD ID: 1518439 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 657.8 Cell parameters: 10.05; 14.807; 4.4206; 90; 90; 90; |
| COD ID: 1518440 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 651.8 Cell parameters: 10.04; 14.796; 4.3879; 90; 90; 90; |
| COD ID: 1518441 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 635.3 Cell parameters: 10.056; 14.779; 4.275; 90; 90; 90; |
| COD ID: 1518442 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 633.3 Cell parameters: 10.059; 14.776; 4.261; 90; 90; 90; |
| COD ID: 1518443 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 633.3 Cell parameters: 10.063; 14.787; 4.256; 90; 90; 90; |
| COD ID: 1518444 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 621 Cell parameters: 9.714; 14.99; 4.262; 90; 90; 90; |
| COD ID: 1518445 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 617.4 Cell parameters: 9.73; 14.987; 4.234; 90; 90; 90; |
| COD ID: 1518446 | |
| CIF file | Formula: - C6 H12 O6 - Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991 Space group: P 21 21 21 Cell volume: 611.3 Cell parameters: 9.694; 14.931; 4.2234; 90; 90; 90; |
| COD ID: 1518447 | |
| CIF file | Formula: - C67 F6 - Comments: 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. 6(3) (2015) 1801 Space group: P b c a Cell volume: 6475.1 Cell parameters: 9.9998; 20.6538; 31.3512; 90; 90; 90; |
| COD ID: 1518448 | |
| CIF file | Formula: - C60 H60 Li4 O5 Rb4 - Comments: 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. 6(3) (2015) 1959 Space group: C m c m Cell volume: 4960 Cell parameters: 14.166; 13.519; 25.901; 90; 90; 90; |
| COD ID: 1518449 | |
| CIF file | Formula: - C66 H80 Li3 O12.5 Rb5 - Comments: 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. 6(3) (2015) 1959 Space group: P -1 Cell volume: 3384.9 Cell parameters: 10.064; 15.27; 22.129; 90.416; 93.102; 94.532; |
| COD ID: 1518450 | |
| CIF file | Formula: - C28 H46 N4 O19 Tm - Comments: 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. 6(3) (2015) 1655 Space group: C 1 c 1 Cell volume: 3317.3 Cell parameters: 23.1686; 9.677; 16.8001; 90; 118.272; 90; |
| COD ID: 1518469 | |
| CIF file | Formula: - C21 H10 Au B Cl10 N6 Pb - Comments: Echeverría, Raquel; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena The gold(i)⋯lead(ii) interaction: a relativistic connection Chem. Sci. 6(3) (2015) 2022 Space group: P -1 Cell volume: 1477.17 Cell parameters: 8.5794; 13.7444; 13.7913; 110.805; 93.371; 101.13; |
| COD ID: 1518476 | |
| CIF file | Formula: - C14 H23 F6 O6 Pd Sb - Comments: Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci. 6(4) (2015) 2172 Space group: P -1 Cell volume: 992.6 Cell parameters: 9.539; 10.408; 11.253; 115.767; 97.422; 91.945; |
| COD ID: 1518477 | |
| CIF file | Formula: - C15 H22 F6 N O6 Pd Sb - Comments: Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci. 6(4) (2015) 2172 Space group: P n m a Cell volume: 4189 Cell parameters: 18.89; 16.805; 13.196; 90; 90; 90; |
| COD ID: 1518478 | |
| CIF file | Formula: - C22 H35 F6 O6 Pd Sb - Comments: Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci. 6(4) (2015) 2172 Space group: P n a 21 Cell volume: 2699.3 Cell parameters: 16.758; 16.947; 9.5046; 90; 90; 90; |
| COD ID: 1518479 | |
| CIF file | Formula: - C17 H28 F6 N3 O10 Pd Sb - Comments: Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci. 6(4) (2015) 2172 Space group: P 1 21/c 1 Cell volume: 2762.3 Cell parameters: 10.0271; 19.0026; 14.5138; 90; 92.747; 90; |
| COD ID: 1518480 | |
| CIF file | Formula: - C66 H86 Cl20 F24 O16 Pd4 Sb4 - Comments: Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci. 6(4) (2015) 2172 Space group: P -1 Cell volume: 5930.9 Cell parameters: 16.4284; 19.3745; 21.4447; 66.181; 88.434; 72.775; |
| COD ID: 1518496 | |
| CIF file | Formula: - C34 H58 As4 Co2 - Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379 Space group: P 1 21/n 1 Cell volume: 1832.24 Cell parameters: 8.4386; 13.7676; 16.0276; 90; 100.27; 90; |
| COD ID: 1518497 | |
| CIF file | Formula: - C35 H60 As4 Cl2 Co2 - Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379 Space group: C 1 2/c 1 Cell volume: 3945.5 Cell parameters: 17.893; 19.9249; 11.6299; 90; 107.903; 90; |
| COD ID: 1518498 | |
| CIF file | Formula: - C68 H116 As10 Co4 - Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379 Space group: P -1 Cell volume: 1904.35 Cell parameters: 10.3921; 14.3707; 14.8262; 62.53; 76.535; 79.819; |
| COD ID: 1518499 | |
| CIF file | Formula: - C72 H124 As10 Cl8 Co4 - Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379 Space group: P -1 Cell volume: 2254 Cell parameters: 13.7956; 14.0892; 15.0382; 62.971; 69.895; 61.292; |
| COD ID: 1518500 | |
| CIF file | Formula: - C51 H87 As12 Co3 - Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379 Space group: C 1 2/c 1 Cell volume: 12607.1 Cell parameters: 28.9202; 15.7899; 29.9375; 90; 112.752; 90; |
| COD ID: 1518501 | |
| CIF file | Formula: - C23 H32 N2 Se - Comments: 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. 6(3) (2015) 1895 Space group: P n a 21 Cell volume: 1920.6 Cell parameters: 23.3; 7.0807; 11.6415; 90; 90; 90; |
| COD ID: 1518502 | |
| CIF file | Formula: - C15 H24 N2 Se - Comments: 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. 6(3) (2015) 1895 Space group: P 1 21/c 1 Cell volume: 1527 Cell parameters: 11.8147; 11.1443; 12.2088; 90; 108.21; 90; |
| COD ID: 1518503 | |
| CIF file | Formula: - C27 H48 N2 Se - Comments: 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. 6(3) (2015) 1895 Space group: P 1 21/n 1 Cell volume: 2647.2 Cell parameters: 14.4058; 7.4133; 25.023; 90; 97.856; 90; |
| COD ID: 1518504 | |
| CIF file | Formula: - C19 H20 N2 Se - Comments: 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. 6(3) (2015) 1895 Space group: P 1 2/n 1 Cell volume: 834.42 Cell parameters: 8.3318; 7.4265; 13.6459; 90; 98.798; 90; |
| COD ID: 1518505 | |
| CIF file | Formula: - C21 H24 N2 Se - Comments: 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. 6(3) (2015) 1895 Space group: P b c n Cell volume: 1904.4 Cell parameters: 16.043; 7.3937; 16.055; 90; 90; 90; |
| COD ID: 1518506 | |
| CIF file | Formula: - C35 H52 N2 Se - Comments: 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. 6(3) (2015) 1895 Space group: P 1 21/c 1 Cell volume: 3221.8 Cell parameters: 20.433; 7.6327; 21.563; 90; 106.66; 90; |
| COD ID: 1518507 | |
| CIF file | Formula: - C27 H34 Cl2 N2 Se - Comments: 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. 6(3) (2015) 1895 Space group: I 1 2/a 1 Cell volume: 3305 Cell parameters: 17.366; 9.4565; 21.295; 90; 109.08; 90; |
| COD ID: 1518508 | |
| CIF file | Formula: - C21 H26 N2 Se - Comments: 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. 6(3) (2015) 1895 Space group: P b c n Cell volume: 1918.2 Cell parameters: 15.9194; 7.4418; 16.1915; 90; 90; 90; |
| COD ID: 1518509 | |
| CIF file | Formula: - C11 H6 F5 N3 Se - Comments: 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. 6(3) (2015) 1895 Space group: P 1 21/c 1 Cell volume: 1215.7 Cell parameters: 9.3746; 15.527; 8.3524; 90; 90.357; 90; |
| COD ID: 1518510 | |
| CIF file | Formula: - C11 H11 N3 O Se - Comments: 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. 6(3) (2015) 1895 Space group: P -1 Cell volume: 1136.6 Cell parameters: 7.8283; 7.9731; 18.447; 97.93; 94.637; 90.042; |
| COD ID: 1518511 | |
| CIF file | Formula: - C21 H21 N3 O Se - Comments: 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. 6(3) (2015) 1895 Space group: P -1 Cell volume: 906.2 Cell parameters: 8.5326; 10.637; 11.589; 107.558; 101.546; 107.498; |
| COD ID: 1518512 | |
| CIF file | Formula: - C30 H35 N3 O Se Si - Comments: 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. 6(3) (2015) 1895 Space group: P b c a Cell volume: 5537.6 Cell parameters: 13.2692; 19.8926; 20.979; 90; 90; 90; |
| COD ID: 1518526 | |
| CIF file | Formula: - C12 H11 N O2 - Comments: 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. 6(3) (2015) 1905 Space group: P -1 Cell volume: 510.62 Cell parameters: 4.00444; 11.1381; 12.202; 71.955; 89.514; 80.992; |
| COD ID: 1518527 | |
| CIF file | Formula: - C38 H48 N2 O4 - Comments: 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. 6(3) (2015) 1905 Space group: P 1 21/c 1 Cell volume: 3324.49 Cell parameters: 14.93217; 14.22602; 15.93712; 90; 100.89; 90; |
| COD ID: 1518528 | |
| CIF file | Formula: - C30 H40 N2 O4 Si4 - Comments: 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. 6(3) (2015) 1905 Space group: P -1 Cell volume: 1700.67 Cell parameters: 8.5558; 11.887; 17.0071; 99.115; 92.129; 94.397; |
| COD ID: 1518529 | |
| CIF file | Formula: - C34 H52 N2 O4 Si6 - Comments: 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. 6(3) (2015) 1905 Space group: P -1 Cell volume: 2068.9 Cell parameters: 8.6514; 11.8373; 20.4256; 82.751; 87.339; 86.175; |
| COD ID: 1518530 | |
| CIF file | Formula: - C152.05 H75.74 Cl2.21 F40 N12 S8 - Comments: 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. 6(3) (2015) 1696 Space group: P -1 Cell volume: 6917.2 Cell parameters: 18.9073; 20.7452; 21.091; 67.38; 77.21; 65.257; |
| COD ID: 1518531 | |
| CIF file | Formula: - C87.05 H40.13 Cl3.96 F20 N6 S6 - Comments: 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. 6(3) (2015) 1696 Space group: C 1 2/c 1 Cell volume: 16338 Cell parameters: 49.998; 12.402; 35.242; 90; 131.613; 90; |
| COD ID: 1518532 | |
| CIF file | Formula: - C95.3 H48 Cl2.3 F20 N6 O0.5 S8 - Comments: 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. 6(3) (2015) 1696 Space group: P -1 Cell volume: 8989 Cell parameters: 17.2734; 18.9028; 30.1289; 105; 92.92; 107.23; |
| COD ID: 1518536 | |
| CIF file | Formula: - C18 H11 F6 N O3 - Comments: 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. 6(3) (2015) 1923 Space group: C 1 2/c 1 Cell volume: 3382 Cell parameters: 32.403; 6.8959; 15.25; 90; 97.03; 90; |
| COD ID: 1518540 | |
| CIF file | Formula: - C18 H33 N2 O8 S2 - Comments: 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. 6(3) (2015) 2079 Space group: P -1 Cell volume: 1097.43 Cell parameters: 7.8956; 9.6557; 14.916; 77.311; 81.835; 86.214; |
| COD ID: 1518541 | |
| CIF file | Formula: - C36 H66 N4 O16 S4 - Comments: 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. 6(3) (2015) 2079 Space group: I 1 2/c 1 Cell volume: 4427.61 Cell parameters: 19.4827; 7.7013; 30.1416; 90; 101.758; 90; |
| COD ID: 1518542 | |
| CIF file | Formula: - C28.7552 H49.5104 N8 O14 S4 - Comments: 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. 6(3) (2015) 2079 Space group: P -1 Cell volume: 962.76 Cell parameters: 9.7673; 9.8143; 10.2046; 94.88; 96.822; 95.184; |
| COD ID: 1518545 | |
| CIF file | Formula: - C14 H34 Cl Mo P3 - Comments: Neary, Michelle C.; Parkin, Gerard Dehydrogenation, disproportionation and transfer hydrogenation reactions of formic acid catalyzed by molybdenum hydride compounds Chem. Sci. 6(3) (2015) 1859 Space group: P 21 21 21 Cell volume: 2002.7 Cell parameters: 11.8282; 12.449; 13.6005; 90; 90; 90; |
| COD ID: 1518548 | |
| CIF file | Formula: - C44.71 H22.16 Cl4 F14 N6 Na2 O7.22 - Comments: Seifert, Sabine; Schmidt, David; Würthner, Frank An ambient stable core-substituted perylene bisimide dianion: isolation and single crystal structure analysis Chem. Sci. 6(3) (2015) 1663 Space group: P -1 Cell volume: 4812.8 Cell parameters: 14.6741; 15.8676; 24.1918; 91.946; 106.327; 115.228; |
| COD ID: 1518587 | |
| CIF file | Formula: - C56 H92 Cl2 Co2 I2 N4 P4 Ti2 - Comments: 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. 6(3) (2015) 2044 Space group: P b c a Cell volume: 6717.3 Cell parameters: 18.6991; 16.4217; 21.8753; 90; 90; 90; |
| COD ID: 1518588 | |
| CIF file | Formula: - C31 H55 Cl Co N2 P3 Ti - Comments: 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. 6(3) (2015) 2044 Space group: P 1 21/n 1 Cell volume: 3652.3 Cell parameters: 9.0138; 18.8395; 21.5085; 90; 90.54; 90; |
| COD ID: 1518589 | |
| CIF file | Formula: - C68 H104 Co2 I2 N4 O2 P4 Ti2 - Comments: 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. 6(3) (2015) 2044 Space group: P -1 Cell volume: 1835.07 Cell parameters: 12.5912; 13.4571; 13.5956; 110.682; 94.623; 117.15; |
| COD ID: 1518590 | |
| CIF file | Formula: - C24 H16 Au2 F8 N4 O2 - Comments: 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. 6(4) (2015) 2187 Space group: P -1 Cell volume: 667.23 Cell parameters: 3.5452; 14.0087; 14.249; 109.292; 91.673; 91.322; |
| COD ID: 1518591 | |
| CIF file | Formula: - C18 H4 Au2 F8 N4 - Comments: 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. 6(4) (2015) 2187 Space group: P -1 Cell volume: 489.99 Cell parameters: 3.5707; 10.3087; 14.2742; 107.689; 92.505; 100.205; |
| COD ID: 1518592 | |
| CIF file | Formula: - C18 H4 Au2 F8 N4 - Comments: 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. 6(4) (2015) 2187 Space group: P 1 21/c 1 Cell volume: 957.35 Cell parameters: 7.79058; 18.7202; 6.74157; 90; 103.167; 90; |
| COD ID: 1518593 | |
| CIF file | Formula: - C30 H51 Ir P2 - Comments: 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. 6(3) (2015) 2060 Space group: P -1 Cell volume: 3027.6 Cell parameters: 10.264; 16.311; 19.425; 103.753; 105.008; 93.129; |
| COD ID: 1518594 | |
| CIF file | Formula: - C31 H55 Ir O P2 - Comments: 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. 6(3) (2015) 2060 Space group: P 1 21/c 1 Cell volume: 3137.41 Cell parameters: 17.003; 20.0591; 9.4403; 90; 102.986; 90; |
| COD ID: 1518595 | |
| CIF file | Formula: - C24 H46 Cl Ir P2 - Comments: 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. 6(3) (2015) 2060 Space group: P 1 21/c 1 Cell volume: 2689.4 Cell parameters: 11.4108; 13.6574; 17.7933; 90; 104.097; 90; |
| COD ID: 1518596 | |
| CIF file | Formula: - C34 H26 F4 P2 - Comments: Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci. 6(3) (2015) 2016 Space group: P 1 21/n 1 Cell volume: 2665.6 Cell parameters: 9.2062; 16.7452; 17.6319; 90; 101.286; 90; |
| COD ID: 1518597 | |
| CIF file | Formula: - C25 H22 F4 P2 - Comments: Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci. 6(3) (2015) 2016 Space group: C 1 2 1 Cell volume: 1098.76 Cell parameters: 21.0973; 8.3882; 6.3567; 90; 102.383; 90; |
| COD ID: 1518598 | |
| CIF file | Formula: - C58 H26 B F21 P2 - Comments: Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci. 6(3) (2015) 2016 Space group: P 1 21 1 Cell volume: 2447.2 Cell parameters: 8.4256; 21.123; 13.804; 90; 95.055; 90; |
| COD ID: 1518599 | |
| CIF file | Formula: - C59.25 H28.5 B Cl2.5 F23 P2 - Comments: Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci. 6(3) (2015) 2016 Space group: P 1 21/c 1 Cell volume: 5597.6 Cell parameters: 18.8002; 17.1372; 17.8001; 90; 102.564; 90; |
| COD ID: 1518609 | |
| CIF file | Formula: - C35 H28 F6 N3 P S2 Se4 - Comments: 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. 6(4) (2015) 2302 Space group: P 1 21/n 1 Cell volume: 3752.3 Cell parameters: 19.6176; 7.5992; 25.2231; 90; 93.7263; 90; |
| COD ID: 1518610 | |
| CIF file | Formula: - C20 H14 - Comments: 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. 6(3) (2015) 1816 Space group: P -1 Cell volume: 1359 Cell parameters: 9.6321; 11.0943; 14.7022; 67.862; 79.883; 69.219; |
| COD ID: 1518611 | |
| CIF file | Formula: - C24 H16 - Comments: 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. 6(3) (2015) 1816 Space group: P 1 21/c 1 Cell volume: 3104.2 Cell parameters: 19.1157; 5.7556; 29.6669; 90; 108.002; 90; |
| COD ID: 1518661 | |
| CIF file | Formula: - C64 H48 S4 - Comments: 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. 6(4) (2015) 2354 Space group: P 1 21/n 1 Cell volume: 2457.7 Cell parameters: 20.159; 5.0166; 25.728; 90; 109.164; 90; |
| COD ID: 1518662 | |
| CIF file | Formula: - C65 H50 S4 - Comments: 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. 6(4) (2015) 2354 Space group: P 1 21/n 1 Cell volume: 2462.2 Cell parameters: 20.1; 5.1652; 25.159; 90; 109.501; 90; |
| COD ID: 1518663 | |
| CIF file | Formula: - C68 H56 Cl2 S4 - Comments: 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. 6(4) (2015) 2354 Space group: P 1 21/c 1 Cell volume: 2706.5 Cell parameters: 7.6706; 17.4871; 20.506; 90; 100.272; 90; |
| COD ID: 1518664 | |
| CIF file | Formula: - C66 H52 S4 - Comments: 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. 6(4) (2015) 2354 Space group: P 1 21/n 1 Cell volume: 2624.8 Cell parameters: 21.43; 5.2798; 24.95; 90; 111.599; 90; |
| COD ID: 1518665 | |
| CIF file | Formula: - C66 H52 S4 - Comments: 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. 6(4) (2015) 2354 Space group: P 1 21/n 1 Cell volume: 2444.01 Cell parameters: 20.0834; 5.2324; 24.6005; 90; 109.019; 90; |
| COD ID: 1518666 | |
| CIF file | Formula: - C8 H16 F7 O6 P2 S2 Sb - Comments: 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. 6(4) (2015) 2559 Space group: P 1 21/n 1 Cell volume: 1920.41 Cell parameters: 14.5029; 8.9034; 14.9927; 90; 97.26; 90; |
| COD ID: 1518667 | |
| CIF file | Formula: - C43 H71 F9 N3 O9 P3 S3 Sb4 - Comments: 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. 6(4) (2015) 2559 Space group: P -1 Cell volume: 3284.57 Cell parameters: 11.4789; 11.9874; 26.0864; 91.82; 97.564; 112.074; |
| COD ID: 1518668 | |
| CIF file | Formula: - C29 H61.5 F12 N0.5 O12 P4 S4 Sb4 - Comments: 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. 6(4) (2015) 2559 Space group: P 1 21/c 1 Cell volume: 11138 Cell parameters: 23.986; 21.83; 22.193; 90; 106.57; 90; |
| COD ID: 1518669 | |
| CIF file | Formula: - C31 H41 F6 N2 O6 S2 Sb - Comments: 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. 6(4) (2015) 2559 Space group: P 1 21/c 1 Cell volume: 3658.1 Cell parameters: 12.3127; 17.4575; 17.0214; 90; 91.03; 90; |
| COD ID: 1518670 | |
| CIF file | Formula: - C4 H9 F4 O3 P S - Comments: 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. 6(4) (2015) 2559 Space group: P 1 21/m 1 Cell volume: 971.83 Cell parameters: 10.2147; 8.6511; 11.0323; 90; 94.5503; 90; |
| COD ID: 1518671 | |
| CIF file | Formula: - C14 H30 F6 O6 P2 S2 - Comments: 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. 6(4) (2015) 2559 Space group: P 1 21/n 1 Cell volume: 2340.4 Cell parameters: 13.4271; 11.8532; 15.7504; 90; 110.993; 90; |
| COD ID: 1518672 | |
| CIF file | Formula: - C27 H24 Cl5 F6 N5 O P2 Ru - Comments: 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. 6(4) (2015) 2405 Space group: P -1 Cell volume: 1691.09 Cell parameters: 11.1445; 12.0548; 14.8726; 67.197; 84.942; 67.025; |
| COD ID: 1518676 | |
| CIF file | Formula: - C17 H25 N O2 Si - Comments: 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. 6(4) (2015) 2275 Space group: P 1 21/n 1 Cell volume: 3530.7 Cell parameters: 7.8451; 10.8055; 41.681; 90; 92.188; 90; |
| COD ID: 1518677 | |
| CIF file | Formula: - C19 H19 Cl2 N O S - Comments: 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. 6(4) (2015) 2275 Space group: P 1 21/c 1 Cell volume: 1798.3 Cell parameters: 9.4678; 22.465; 8.4857; 90; 94.892; 90; |
| COD ID: 1518714 | |
| CIF file | Formula: - C14 H26 Cl3 N4 O P Ru - Comments: 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. 6(4) (2015) 2449 Space group: P 1 21/n 1 Cell volume: 1922.7 Cell parameters: 6.9163; 23.66; 11.8396; 90; 97.078; 90; |
| COD ID: 1518715 | |
| CIF file | Formula: - C15 H23 Cl2 N4 O P Ru - Comments: 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. 6(4) (2015) 2449 Space group: P -1 Cell volume: 1808.34 Cell parameters: 10.5379; 12.8283; 13.7451; 100.766; 97.279; 91.491; |
| COD ID: 1518716 | |
| CIF file | Formula: - C42 H55 Cl2 N5 O10 - Comments: Rose, Tristan E.; Lawson, Kenneth V.; Harran, Patrick. G. Large ring-forming alkylations provide facile access to composite macrocycles Chem. Sci. 6(4) (2015) 2219 Space group: C 1 2 1 Cell volume: 4288.1 Cell parameters: 25.187; 8.1556; 21.154; 90; 99.308; 90; |
| COD ID: 1518727 | |
| CIF file | Formula: - C53 H53 F3 N4 O3 P2 S - Comments: 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. 6(4) (2015) 2506 Space group: C 1 c 1 Cell volume: 4923.42 Cell parameters: 24.05898; 12.60445; 17.26646; 90; 109.899; 90; |
| COD ID: 1518728 | |
| CIF file | Formula: - C67 H72 Cl Ir N4 P2 - Comments: 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. 6(4) (2015) 2506 Space group: P -1 Cell volume: 2814.45 Cell parameters: 11.53121; 15.09347; 16.48026; 91.4726; 100.955; 90.9436; |
| COD ID: 1518729 | |
| CIF file | Formula: - C54 H52 Cl Ir N4 O2 P2 - Comments: 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. 6(4) (2015) 2506 Space group: R -3 Cell volume: 21692.9 Cell parameters: 30.1754; 30.1754; 27.5094; 90; 90; 120; |
| COD ID: 1518730 | |
| CIF file | Formula: - C71.5 H80 Cl2 Ir2 N4 P2 - Comments: 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. 6(4) (2015) 2506 Space group: P -1 Cell volume: 3131.28 Cell parameters: 13.28816; 15.4534; 18.6095; 66.4438; 87.7181; 64.8361; |
| COD ID: 1518731 | |
| CIF file | Formula: - C55.5 H62 Au2 Cl3 Ir N4 P2 - Comments: 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. 6(4) (2015) 2506 Space group: P 1 21/c 1 Cell volume: 5299.46 Cell parameters: 12.88426; 13.46559; 30.9781; 90; 99.5872; 90; |
| COD ID: 1518738 | |
| CIF file | Formula: - C19.5 H18.5 As3 Cl6.5 S6 - Comments: 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. 6(4) (2015) 2444 Space group: P n m a Cell volume: 3008.8 Cell parameters: 20.703; 9.885; 14.702; 90; 90; 90; |
| COD ID: 1518739 | |
| CIF file | Formula: - C24 H24 Cl3 S6 Sb3 - Comments: 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. 6(4) (2015) 2444 Space group: R -3 c :H Cell volume: 5839.7 Cell parameters: 14.2066; 14.2066; 33.41; 90; 90; 120; |
| COD ID: 1518740 | |
| CIF file | Formula: - C36 H42 As3 Cl3 S6 - Comments: 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. 6(4) (2015) 2444 Space group: P -1 Cell volume: 2020.9 Cell parameters: 10.0055; 12.424; 16.522; 81.285; 88.456; 84.579; |
| COD ID: 1518741 | |
| CIF file | Formula: - C30 H42 As3 Cl3 S6 - Comments: 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. 6(4) (2015) 2444 Space group: R -3 :H Cell volume: 5552.4 Cell parameters: 16.413; 16.413; 23.8; 90; 90; 120; |
| COD ID: 1518742 | |
| CIF file | Formula: - C24 H30 Cl3 S6 Sb3 - Comments: 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. 6(4) (2015) 2444 Space group: P 1 21/n 1 Cell volume: 3012.2 Cell parameters: 16.0971; 11.4604; 16.3368; 90; 91.867; 90; |
| COD ID: 1518743 | |
| CIF file | Formula: - C30 H42 Cl3 S6 Sb3 - Comments: 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. 6(4) (2015) 2444 Space group: R -3 :H Cell volume: 5616.9 Cell parameters: 16.458; 16.458; 23.9449; 90; 90; 120; |
| COD ID: 1518744 | |
| CIF file | Formula: - C32 H30 N8 O5 Zn4 - Comments: 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. 6(4) (2015) 2516 Space group: P 42/m c m Cell volume: 3436.5 Cell parameters: 11.5382; 11.5382; 25.813; 90; 90; 90; |
| COD ID: 1518745 | |
| CIF file | Formula: - C34 H32 N8 O5 Zn4 - Comments: 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. 6(4) (2015) 2516 Space group: P 42/m c m Cell volume: 4573 Cell parameters: 11.517; 11.517; 34.474; 90; 90; 90; |
| COD ID: 1518753 | |
| CIF file | Formula: - C37 H31 Cu F12 N4 - Comments: 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. 6(4) (2015) 2474 Space group: P -1 Cell volume: 1788.5 Cell parameters: 12.1667; 12.1867; 13.5954; 81.549; 77.873; 65.444; |
| COD ID: 1518754 | |
| CIF file | Formula: - C16 H6 F12 N2 - Comments: 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. 6(4) (2015) 2474 Space group: I 41/a :2 Cell volume: 6623.3 Cell parameters: 36.71; 36.71; 4.9148; 90; 90; 90; |
| COD ID: 1518755 | |
| CIF file | Formula: - C18 H27 Au B Cl N2 O2 - Comments: 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. 6(5) (2015) 2893 Space group: P 1 21/n 1 Cell volume: 1967.1 Cell parameters: 11.295; 10.512; 16.9583; 90; 102.328; 90; |
| COD ID: 1518756 | |
| CIF file | Formula: - C53 H79 Au B Cl N4 O4 - Comments: 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. 6(5) (2015) 2893 Space group: P 1 21/c 1 Cell volume: 5469.4 Cell parameters: 15.396; 14.4925; 24.966; 90; 100.935; 90; |
| COD ID: 1518757 | |
| CIF file | Formula: - C19 H27 B F3 Li N2 O5 S - Comments: 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. 6(5) (2015) 2893 Space group: P -1 Cell volume: 1114.73 Cell parameters: 5.9513; 10.9562; 17.3953; 96.176; 93.242; 97.646; |
| COD ID: 1518758 | |
| CIF file | Formula: - C26 H39 B Cl N2 O2 Rh - Comments: 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. 6(5) (2015) 2893 Space group: P 1 21/c 1 Cell volume: 2627.4 Cell parameters: 16.46; 13.8072; 11.9483; 90; 104.628; 90; |
| COD ID: 1518759 | |
| CIF file | Formula: - C33 H47 B Cl Ir N2 O2 - Comments: 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. 6(5) (2015) 2893 Space group: C 1 2/c 1 Cell volume: 6197.6 Cell parameters: 35.4699; 10.667; 18.1337; 90; 115.404; 90; |
| COD ID: 1518761 | |
| CIF file | Formula: - C25 H23 F12 Fe2 O10 - Comments: 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. 6(5) (2015) 2835 Space group: P -1 Cell volume: 1625 Cell parameters: 9.507; 11.729; 16.605; 102.703; 96.771; 112.595; |
| COD ID: 1518762 | |
| CIF file | Formula: - C35 H25 F24 Fe3 O14 - Comments: 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. 6(5) (2015) 2835 Space group: P 1 21 1 Cell volume: 2407.2 Cell parameters: 9.7834; 20.8414; 12.0955; 90; 102.57; 90; |
| COD ID: 1518763 | |
| CIF file | Formula: - C35 H25 F24 Fe3 O14 - Comments: 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. 6(5) (2015) 2835 Space group: P 1 21 1 Cell volume: 2408.2 Cell parameters: 9.7979; 20.819; 12.0998; 90; 102.659; 90; |
| COD ID: 1518764 | |
| CIF file | Formula: - C35 H19 F30 Fe3 O14 - Comments: 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. 6(5) (2015) 2835 Space group: C 1 2/c 1 Cell volume: 5000 Cell parameters: 20.934; 13.481; 17.739; 90; 92.848; 90; |
| COD ID: 1518765 | |
| CIF file | Formula: - C25 H23 F12 Fe Mn O10 - Comments: 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. 6(5) (2015) 2835 Space group: P -1 Cell volume: 1618.3 Cell parameters: 9.464; 11.8255; 16.508; 102.022; 97.859; 112.682; |
| COD ID: 1518766 | |
| CIF file | Formula: - C35 H25 F24 Fe Ni2 O14 - Comments: 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. 6(5) (2015) 2835 Space group: P 1 21 1 Cell volume: 2381 Cell parameters: 9.7682; 20.7583; 12.0575; 90; 103.126; 90; |
| COD ID: 1518779 | |
| CIF file | Formula: - C38 H34 Cl2 Ir N P2 - Comments: 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. 6(5) (2015) 2928 Space group: I b a m Cell volume: 13061 Cell parameters: 30.868; 17.517; 24.155; 90; 90; 90; |
| COD ID: 1518780 | |
| CIF file | Formula: - Ga1.67 O10 P2.5 Zn0.83 - Comments: 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. 6(5) (2015) 2922 Space group: C 1 2/m 1 Cell volume: 2612.5 Cell parameters: 16.767; 19.047; 10.248; 90; 127.038; 90; |
| COD ID: 1518781 | |
| CIF file | Formula: - C63 H59 B F29 Fe N3 P2 - Comments: 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. 6(5) (2015) 2737 Space group: P -1 Cell volume: 6702.5 Cell parameters: 12.7767; 13.894; 38.0545; 90.4567; 92.9881; 96.475; |
| COD ID: 1518782 | |
| CIF file | Formula: - C38 H55 Co N2 O4 - Comments: 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. 6(5) (2015) 2979 Space group: P 1 21/n 1 Cell volume: 3518.8 Cell parameters: 17.569; 10.302; 19.781; 90; 100.629; 90; |
| COD ID: 1518784 | |
| CIF file | Formula: - C16 H29 B I N3 - Comments: 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. 6(5) (2015) 2938 Space group: C 1 2/c 1 Cell volume: 3546.3 Cell parameters: 17.3182; 19.7092; 12.0924; 90; 120.773; 90; |
| COD ID: 1518785 | |
| CIF file | Formula: - C17 H30 B N3 O4 - Comments: 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. 6(5) (2015) 2938 Space group: P 21 21 21 Cell volume: 1878.59 Cell parameters: 7.1546; 12.8526; 20.4294; 90; 90; 90; |
| COD ID: 1518786 | |
| CIF file | Formula: - C23 H17 N - Comments: 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. 6(5) (2015) 2843 Space group: P n a 21 Cell volume: 1654.32 Cell parameters: 7.4701; 19.7919; 11.1894; 90; 90; 90; |
| COD ID: 1518787 | |
| CIF file | Formula: - C58 H46 F6 Ir N4 O P - Comments: 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. 6(5) (2015) 2843 Space group: P n a 21 Cell volume: 5118.7 Cell parameters: 13.128; 37.8916; 10.29; 90; 90; 90; |
| COD ID: 1518788 | |
| CIF file | Formula: - C44 H32 F6 Ir N4 P - Comments: 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. 6(5) (2015) 2843 Space group: P 1 21/n 1 Cell volume: 3576.1 Cell parameters: 15.0877; 13.1747; 18.093; 90; 96.094; 90; |
| COD ID: 1518789 | |
| CIF file | Formula: - C76 H60 F6 Ir N4 P - Comments: 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. 6(5) (2015) 2843 Space group: P -1 Cell volume: 2950.9 Cell parameters: 10.8073; 13.5065; 20.8777; 80.953; 86.577; 78.797; |
| COD ID: 1518821 | |
| CIF file | Formula: - C65 H80 Au N O - Comments: 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. 6(5) (2015) 3026 Space group: P -1 Cell volume: 2707 Cell parameters: 11.6132; 14.7425; 16.9669; 87.393; 71.112; 80.062; |
| COD ID: 1518822 | |
| CIF file | Formula: - C35 H34 Au B Mn O2 P - Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989 Space group: P -1 Cell volume: 1512.8 Cell parameters: 10.071; 11.844; 13.4; 86.394; 79.387; 74.371; |
| COD ID: 1518823 | |
| CIF file | Formula: - C43 H40 Au B Mn O2 P - Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989 Space group: C 1 2/c 1 Cell volume: 7269 Cell parameters: 41.848; 10.898; 15.941; 90; 91.024; 90; |
| COD ID: 1518824 | |
| CIF file | Formula: - C30 H29 Au B Mn N O2 P S - Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989 Space group: P 1 21/n 1 Cell volume: 2937 Cell parameters: 13.491; 13.559; 16.412; 90; 101.959; 90; |
| COD ID: 1518825 | |
| CIF file | Formula: - C46 H40 Au B3 Cl8 Mn2 O4 - Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989 Space group: P 1 21/c 1 Cell volume: 9853 Cell parameters: 18.435; 33.798; 17.288; 90; 113.832; 90; |
| COD ID: 1518826 | |
| CIF file | Formula: - C98 H85 Ag2 B6 Cl16 F Mn4 O8 - Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989 Space group: P -1 Cell volume: 2516.2 Cell parameters: 12.2946; 13.8214; 16.0619; 88.083; 67.993; 83.916; |
| COD ID: 1518827 | |
| CIF file | Formula: - C53 H48 Ag B3 Cl8 Mn2 O4 - Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989 Space group: P 1 21/n 1 Cell volume: 5554 Cell parameters: 11.184; 36.556; 13.609; 90; 93.434; 90; |
| COD ID: 1518828 | |
| CIF file | Formula: - C46 H40 Ag B3 Cl8 Mn2 O4 - Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989 Space group: P 1 21/c 1 Cell volume: 9880 Cell parameters: 18.444; 33.901; 17.285; 90; 113.909; 90; |
| COD ID: 1518829 | |
| CIF file | Formula: - C53 H48 B3 Cl8 Cu Mn2 O4 - Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989 Space group: P 1 21/n 1 Cell volume: 5488 Cell parameters: 11.0743; 36.198; 13.711; 90; 93.21; 90; |
| COD ID: 1518830 | |
| CIF file | Formula: - C55 H50 B3 Cl12 Cu2 Mn3 O6 - Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989 Space group: P -1 Cell volume: 3084 Cell parameters: 11.952; 14.576; 20.573; 70.672; 73.21; 68.233; |
| COD ID: 1518831 | |
| CIF file | Formula: - C67 H62 B3 Cl8 Cu2 Mn3 O6 - Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989 Space group: P -1 Cell volume: 3345.8 Cell parameters: 11.301; 14.461; 21.311; 97.172; 96.19; 102.139; |
| COD ID: 1518832 | |
| CIF file | Formula: - C75 H50 Au B F24 P2 - Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989 Space group: P -1 Cell volume: 3402.1 Cell parameters: 12.38; 15.772; 18.327; 83.065; 74.699; 81.63; |
| COD ID: 1518843 | |
| CIF file | Formula: - C22 H23 N O3 - Comments: 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. 6(5) (2015) 2903 Space group: P 1 21/n 1 Cell volume: 1768 Cell parameters: 6.0325; 20.594; 14.3515; 90; 97.425; 90; |
| COD ID: 1518844 | |
| CIF file | Formula: - C25 H27 N O3 - Comments: 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. 6(5) (2015) 2903 Space group: P 1 21/n 1 Cell volume: 2023.27 Cell parameters: 10.6026; 12.0053; 16.5199; 90; 105.806; 90; |
| COD ID: 1518845 | |
| CIF file | Formula: - C24 H25 N O3 - Comments: 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. 6(5) (2015) 2903 Space group: P 1 21/c 1 Cell volume: 1885.39 Cell parameters: 19.6584; 6.7792; 14.62; 90; 104.609; 90; |
| COD ID: 1518846 | |
| CIF file | Formula: - C10 H9 Br Cl N O2 - Comments: 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. 6(5) (2015) 3044 Space group: P 1 21 1 Cell volume: 513.31 Cell parameters: 5.928; 7.6682; 11.3533; 90; 95.944; 90; |
| COD ID: 1518866 | |
| CIF file | Formula: - C11 H9 Dy N3 O6 - Comments: 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. 6(5) (2015) 3095 Space group: P 1 21/c 1 Cell volume: 1244.4 Cell parameters: 13.672; 7.313; 12.481; 90; 94.296; 90; |
| COD ID: 1518867 | |
| CIF file | Formula: - C11 H9 N3 O6 Y - Comments: 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. 6(5) (2015) 3095 Space group: P 1 21/c 1 Cell volume: 1231.4 Cell parameters: 13.655; 7.278; 12.428; 90; 94.424; 90; |
| COD ID: 1518869 | |
| CIF file | Formula: - C42 H34 N6 O10 - Comments: 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. 6(5) (2015) 3087 Space group: P -1 Cell volume: 3760 Cell parameters: 8.8838; 20.6864; 22.5136; 68.276; 78.717; 89.509; |
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