Crystallography Open Database

Result : There are 27369 entries in the selection

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Searching year of publication is 2015

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: 1517679
CIF file Formula: - C18 H18 B2 F8 N4 -
Comments: Jo, Hyun Hwa; Edupuganti, Ramakrishna; You, Lei; Dalby, Kevin N.; Anslyn, Eric V. Mechanistic Studies on Covalent Assemblies of Metal-Mediated Hemi-Aminal Ethers. Chemical science (Royal Society of Chemistry : 2010) 6(1) (2015) 158-164
Space group: P 1 21/n 1
Cell volume: 2005.2
Cell parameters: 7.9704; 9.6387; 26.395; 90; 98.556; 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: 1517812
CIF file Formula: - C33 H30 Cl Co N4 O7 -
Comments: Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts Catal. Sci. Technol. 5(1) (2015) 562
Space group: P -1
Cell volume: 1551.7
Cell parameters: 10.4178; 12.0725; 13.2955; 90.683; 110.55; 96.916;  

COD ID: 1517813
CIF file Formula: - C35 H33 Br Cl Co N4 O7 -
Comments: Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts Catal. Sci. Technol. 5(1) (2015) 562
Space group: P -1
Cell volume: 1779.1
Cell parameters: 12.326; 12.7391; 13.0205; 62.534; 82.794; 79.008;  

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: 1517870
CIF file Formula: - C21 H29 Cl N Rh -
Comments: Hyster, Todd K.; Dalton, Derek M.; Rovis, Tomislav Ligand Design for Rh(III)-Catalyzed C-H Activation: An Unsymmetrical Cyclopentadienyl Enables a Regioselective Synthesis of Dihydroisoquinolones. Chemical science (Royal Society of Chemistry : 2010) 6(1) (2015) 254-258
Space group: P -1
Cell volume: 1988.5
Cell parameters: 11.7956; 12.394; 13.9527; 85.713; 81.671; 80.615;  

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: 1517889
CIF file Formula: - C20 H20 N2 O3 -
Comments: Nelson, H. M.; Patel, J. S.; Shunatona, H. P.; Toste, F. D. Enantioselective α-Amination Enabled by a BINAM-Derived Phase-Transfer Catalyst. Chemical science (Royal Society of Chemistry : 2010) 6(1) (2015) 170-173
Space group: P 1 21 1
Cell volume: 2635.5
Cell parameters: 5.7962; 29.2094; 15.6928; 90; 97.272; 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: 1518122
CIF file Formula: - C28 H39 Br O4 -
Comments: Ghiggino, Kenneth P.; Tilley, Andrew J.; Robotham, Benjamin; White, Jonathan M. Excited state dynamics of organic semi-conducting materials. Faraday discussions 177 (2015) 111-119
Space group: P 1 21/c 1
Cell volume: 2657.1
Cell parameters: 9.3571; 16.7917; 17.242; 90; 101.238; 90;  

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: 1518219
CIF file Formula: - C34 H30 Br2 N2 O2 S2 -
Comments: Welterlich, Irina; Neudörfl, Jörg-Martin; Tieke, Bernd Electrochemical polymerization of 1,3,4,6-tetraarylpyrrolo[3,2-b]pyrrole-2,5-dione (isoDPP) derivatives Polym. Chem. 6(6) (2015) 1005
Space group: P 1 21/c 1
Cell volume: 1556.8
Cell parameters: 6.8071; 21.415; 10.9248; 90; 102.159; 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: 1518239
CIF file Formula: - C42 H44 Cl6 Fe N4 -
Comments: Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H; Tonzetich, Zachary J.; Neidig, Michael L. A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(II)-N-heterocyclic carbene complexes. Chemical science (Royal Society of Chemistry : 2010) 6(2) (2015) 1178-1188
Space group: F d d 2
Cell volume: 8505.4
Cell parameters: 19.23; 43.035; 10.2776; 90; 90; 90;  

COD ID: 1518240
CIF file Formula: - C35 H54 Fe N2 Si2 -
Comments: Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H; Tonzetich, Zachary J.; Neidig, Michael L. A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(II)-N-heterocyclic carbene complexes. Chemical science (Royal Society of Chemistry : 2010) 6(2) (2015) 1178-1188
Space group: C 1 2/c 1
Cell volume: 3796
Cell parameters: 10.777; 19.521; 18.542; 90; 103.339; 90;  

COD ID: 1518241
CIF file Formula: - C6 H18 Cl2 Fe P2 -
Comments: Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H; Tonzetich, Zachary J.; Neidig, Michael L. A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(II)-N-heterocyclic carbene complexes. Chemical science (Royal Society of Chemistry : 2010) 6(2) (2015) 1178-1188
Space group: P -1
Cell volume: 1379.6
Cell parameters: 7.6475; 12.4439; 15.3186; 102.743; 95.406; 101.351;  

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: 1518275
CIF file Formula: - C14 H19 N O -
Comments: Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis. Chemical science (Royal Society of Chemistry : 2010) 6(2) (2015) 1219-1224
Space group: C 1 2 1
Cell volume: 1267.04
Cell parameters: 7.0592; 9.6718; 18.5618; 90; 91.179; 90;  

COD ID: 1518276
CIF file Formula: - C12 H14 O4 S -
Comments: Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis. Chemical science (Royal Society of Chemistry : 2010) 6(2) (2015) 1219-1224
Space group: P 1 21 1
Cell volume: 613.81
Cell parameters: 6.7037; 10.0938; 9.5452; 90; 108.132; 90;  

COD ID: 1518277
CIF file Formula: - C12 H11 Cl2 F O4 S -
Comments: Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis. Chemical science (Royal Society of Chemistry : 2010) 6(2) (2015) 1219-1224
Space group: P 21 21 21
Cell volume: 1457.87
Cell parameters: 7.7539; 8.4364; 22.2865; 90; 90; 90;  

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: 1518280
CIF file Formula: - C12 H12 O6 -
Comments: Zhang, Quanxuan; Ren, Hong; Baker, Gregory L. Synthesis and click chemistry of a new class of biodegradable polylactide towards tunable thermo-responsive biomaterials. Polymer chemistry 6(8) (2015) 1275-1285
Space group: P 1 21/c 1
Cell volume: 582.22
Cell parameters: 7.6482; 7.4766; 10.4304; 90; 102.535; 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: 1518309
CIF file Formula: - C12 H26 Co3 N2 O14 P2 -
Comments: Zhou, Tianhua; Wang, Danping; Chun-Kiat Goh, Simon; Hong, Jindui; Han, Jianyu; Mao, Jianggao; Xu, Rong Bio-inspired organic cobalt(ii) phosphonates toward water oxidation Energy Environ. Sci. 8(2) (2015) 526
Space group: C 1 2/c 1
Cell volume: 4385
Cell parameters: 23.446; 9.956; 19.018; 90; 98.983; 90;  

COD ID: 1518310
CIF file Formula: - C12 H28 Ba3 O26 -
Comments: Boon, Matthew P.; Freeman, Sandra; Ogden, Mark I.; Oliveira, Allan; Richmond, William R.; Skelton, Brian W.; Jones, Franca The many roles of mellitic acid during barium sulfate crystallization. Faraday discussions 179 (2015) 343-357
Space group: I 1 2/a 1
Cell volume: 6008.7
Cell parameters: 13.4109; 16.2568; 27.9028; 90; 98.984; 90;  

COD ID: 1518313
CIF file Formula: - C72 H68 F24 N26 O2 P4 Ru2 -
Comments: Kumar, Sreedhar V.; Lo, Warrick K.C.; Brooks, Heather J.L.; Crowley, James D. Synthesis, structure, stability and antimicrobial activity of a ruthenium(II) helicate derived from a bis-bidentate "click" pyridyl-1,2,3-triazole ligand Inorganica Chimica Acta 425 (2015) 1-6
Space group: I 1 2/a 1
Cell volume: 9342.1
Cell parameters: 24.007; 14.6606; 26.57; 90; 92.563; 90;  

COD ID: 1518314
CIF file Formula: - C18 H17 Cd N2 O4 -
Comments: Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand Inorganica Chimica Acta 425 (2015) 17-27
Space group: P 1 21/c 1
Cell volume: 1684.6
Cell parameters: 7.3532; 15.123; 15.554; 90; 103.11; 90;  

COD ID: 1518315
CIF file Formula: - C29 H34 Cd N4 O5 -
Comments: Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand Inorganica Chimica Acta 425 (2015) 17-27
Space group: P b c a
Cell volume: 5517.1
Cell parameters: 17.061; 14.6879; 22.0163; 90; 90; 90;  

COD ID: 1518316
CIF file Formula: - C56 H66 Cd2 N8 O11 -
Comments: Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand Inorganica Chimica Acta 425 (2015) 17-27
Space group: P 1 2/n 1
Cell volume: 2976
Cell parameters: 15.69; 9.0941; 21.264; 90; 101.23; 90;  

COD ID: 1518317
CIF file Formula: - C24 H32 Cd N2 O5 -
Comments: Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand Inorganica Chimica Acta 425 (2015) 17-27
Space group: P -1
Cell volume: 1179
Cell parameters: 7.7525; 12.7608; 13.0438; 71.42; 82.875; 74.766;  

COD ID: 1518318
CIF file Formula: - C26 H38 Cd N4 O6 -
Comments: Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand Inorganica Chimica Acta 425 (2015) 17-27
Space group: P -1
Cell volume: 1546.82
Cell parameters: 11.4475; 11.593; 13.3747; 76.497; 78.592; 64.39;  

COD ID: 1518319
CIF file Formula: - C4 H5 Cd Cl N2 O3 -
Comments: Liu, Guang-Ning; Zhu, Wen-Juan; Chu, Ya-Nan; Li, Cuncheng Three d10 metal coordination compounds based on pyrazole-3-carboxylic acid showing mixed-ligand characteristic: Syntheses, crystal structures, and photoluminescent properties Inorganica Chimica Acta 425 (2015) 28-35
Space group: P 1 21/n 1
Cell volume: 737.48
Cell parameters: 7.0184; 10.3158; 10.6545; 90; 107.051; 90;  

COD ID: 1518320
CIF file Formula: - C28 H19 Cd Cl N6 O6 -
Comments: Liu, Guang-Ning; Zhu, Wen-Juan; Chu, Ya-Nan; Li, Cuncheng Three d10 metal coordination compounds based on pyrazole-3-carboxylic acid showing mixed-ligand characteristic: Syntheses, crystal structures, and photoluminescent properties Inorganica Chimica Acta 425 (2015) 28-35
Space group: P 1 21/n 1
Cell volume: 2830.78
Cell parameters: 15.0658; 13.145; 15.5206; 90; 112.932; 90;  

COD ID: 1518321
CIF file Formula: - C28 H28 N8 O8 Zn2 -
Comments: Liu, Guang-Ning; Zhu, Wen-Juan; Chu, Ya-Nan; Li, Cuncheng Three d10 metal coordination compounds based on pyrazole-3-carboxylic acid showing mixed-ligand characteristic: Syntheses, crystal structures, and photoluminescent properties Inorganica Chimica Acta 425 (2015) 28-35
Space group: P -1
Cell volume: 741.21
Cell parameters: 8.8834; 9.2233; 9.4907; 95.785; 100.198; 101.908;  

COD ID: 1518322
CIF file Formula: - C16 H17 N3 O2 -
Comments: Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P. Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study Inorganica Chimica Acta 425 (2015) 36-45
Space group: P b c a
Cell volume: 2909.5
Cell parameters: 11.4611; 8.8278; 28.757; 90; 90; 90;  

COD ID: 1518323
CIF file Formula: - C19 H21 N3 O2 -
Comments: Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P. Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study Inorganica Chimica Acta 425 (2015) 36-45
Space group: C 1 2/c 1
Cell volume: 3352
Cell parameters: 26.243; 10.56; 13.89; 90; 119.44; 90;  

COD ID: 1518324
CIF file Formula: - C32 H32 Mn N6 O4 -
Comments: Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P. Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study Inorganica Chimica Acta 425 (2015) 36-45
Space group: P n a 21
Cell volume: 2958
Cell parameters: 20.213; 11.155; 13.117; 90; 90; 90;  

COD ID: 1518325
CIF file Formula: - C18 H21 Cu N3 O3 S -
Comments: Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P. Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study Inorganica Chimica Acta 425 (2015) 36-45
Space group: P 1 21/c 1
Cell volume: 1860.26
Cell parameters: 10.1639; 9.6526; 18.9701; 90; 91.74; 90;  

COD ID: 1518326
CIF file Formula: - C18 H21 N3 O3 S Zn -
Comments: Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P. Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study Inorganica Chimica Acta 425 (2015) 36-45
Space group: P -1
Cell volume: 1916.4
Cell parameters: 9.004; 13.522; 17.296; 79.133; 75.504; 71.182;  

COD ID: 1518327
CIF file Formula: - C10 H8 N10 O4 Zn -
Comments: Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S. Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine Inorganica Chimica Acta 425 (2015) 46-51
Space group: P 1 21/c 1
Cell volume: 1504.4
Cell parameters: 8.06; 14.0316; 13.4153; 90; 97.456; 90;  

COD ID: 1518328
CIF file Formula: - C12 H8 N10 O2 Zn -
Comments: Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S. Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine Inorganica Chimica Acta 425 (2015) 46-51
Space group: P -1
Cell volume: 733.6
Cell parameters: 5.5546; 9.0633; 15.527; 74.72; 80.86; 78.21;  

COD ID: 1518329
CIF file Formula: - C10 H8 N14 Zn -
Comments: Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S. Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine Inorganica Chimica Acta 425 (2015) 46-51
Space group: P -1
Cell volume: 737.1
Cell parameters: 8.1876; 8.2228; 11.8147; 109.876; 91.188; 98.745;  

COD ID: 1518330
CIF file Formula: - C22 H16 N18 S2 Zn -
Comments: Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S. Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine Inorganica Chimica Acta 425 (2015) 46-51
Space group: P 1 21/c 1
Cell volume: 2820.83
Cell parameters: 19.0082; 7.8756; 20.9499; 90; 115.916; 90;  

COD ID: 1518331
CIF file Formula: - C5 H8 Ag Br2 N2 -
Comments: Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules Inorganica Chimica Acta 425 (2015) 52-60
Space group: P 1 21/a 1
Cell volume: 912.26
Cell parameters: 8.2464; 12.5278; 9.1307; 90; 104.737; 90;  

COD ID: 1518332
CIF file Formula: - C10 H16 Ag2 I4 N4 -
Comments: Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules Inorganica Chimica Acta 425 (2015) 52-60
Space group: P -1
Cell volume: 473.3
Cell parameters: 7.061; 7.702; 9.321; 87.062; 85.931; 69.444;  

COD ID: 1518333
CIF file Formula: - C12 H20 Ag2 Br4 N4 -
Comments: Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules Inorganica Chimica Acta 425 (2015) 52-60
Space group: P 1 21/a 1
Cell volume: 2017.53
Cell parameters: 7.049; 21.8537; 13.1219; 90; 93.54; 90;  

COD ID: 1518334
CIF file Formula: - C11 H14 Cu2 N5 S3 -
Comments: Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules Inorganica Chimica Acta 425 (2015) 52-60
Space group: P -1
Cell volume: 851.06
Cell parameters: 8.1184; 10.2788; 11.1619; 107.439; 104.091; 94.198;  

COD ID: 1518335
CIF file Formula: - C11 H16 Cu N4 S2 -
Comments: Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules Inorganica Chimica Acta 425 (2015) 52-60
Space group: P 1 21/c 1
Cell volume: 1492.96
Cell parameters: 5.9561; 12.4658; 20.3391; 90; 98.649; 90;  

COD ID: 1518336
CIF file Formula: - C75 H45 Fe11 O62.23 -
Comments: Mal, Sunit K.; Mitra, Merry; Biswas, Bhaskar; Kaur, Gurpreet; Bag, Partha P.; Reddy, C. Malla; Choudhury, Angshuman Roy; Aliaga-Alcalde, Nuria; Ghosh, Rajarshi Ligand template synthesis of an undecametallic iron(III) complex: X-ray structure, magnetism and catecholase activity Inorganica Chimica Acta 425 (2015) 61-66
Space group: P -1
Cell volume: 4795.9
Cell parameters: 14.6; 14.602; 23.236; 99.165; 99.281; 94.805;  

COD ID: 1518337
CIF file Formula: - C75 H60 B Cl3 F24 Ir2 N2 -
Comments: Corre, Y.; Iali, W.; Hamdaoui, M.; Trivelli, X.; Djukic, J.-P.; Agbossou-Niedercorn, F.; Michon, C. Efficient hydrosilylation of imines using catalysts based on iridium(iii) metallacycles Catal. Sci. Technol. 5(3) (2015) 1452
Space group: P -1
Cell volume: 7588
Cell parameters: 19.0059; 21.9914; 22.092; 114.003; 107.666; 99.412;  

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: 1518341
CIF file Formula: - C88 H92 Cd3 N8 O23 -
Comments: Yi, Fei-Yan; Wang, Ying; Li, Jian-Ping; Wu, Dai; Lan, Ya-Qian; Sun, Zhong-Ming An ultrastable porous metal‒organic framework luminescent switch towards aromatic compounds Mater. Horiz. 2(2) (2015) 245
Space group: C 1 2/c 1
Cell volume: 9390
Cell parameters: 31.136; 20.048; 15.849; 90; 108.347; 90;  

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: 1518357
CIF file Formula: - C19 H21 N O2 S -
Comments: Labed, I.; Labed, A.; Sun, Y.; Jiang, F.; Achard, M.; Dérien, S.; Kabouche, Z.; Bruneau, C. [Cp*Ru]-catalyzed selective coupling/hydrogenation Catal. Sci. Technol. 5(3) (2015) 1650
Space group: P 1 21/n 1
Cell volume: 1661.8
Cell parameters: 9.952; 15.043; 11.1; 90; 90.067; 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: 1518403
CIF file Formula: - C25 H17 N O -
Comments: Wang, Zhen; Li, Ting Facile Synthesis of 6-Acylated Pyrido[2,1-a]isoindoles from 2-Arylpyridines and γ-Substituted tert-Propargyl Alcohols via Rhodium-Catalyzed C-H Bond Activation and β-Carbon Elimination. Organic letters 17(5) (2015) 1348
Space group: P -1
Cell volume: 3469.9
Cell parameters: 8.2167; 16.3939; 25.795; 90; 86.989; 90;  

COD ID: 1518406
CIF file Formula: - C28 H36 N2 P2 -
Comments: Härzschel, Stefan; Kühn, Fritz E.; Wöhl, Anina; Müller, Wolfgang; Al-Hazmi, Mohammed H.; Alqahtani, Abdullah M.; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe Comparative study of new chromium-based catalysts for the selective tri- and tetramerization of ethylene Catal. Sci. Technol. 5(3) (2015) 1678
Space group: P -1
Cell volume: 2559.42
Cell parameters: 11.4796; 15.5902; 15.8639; 98.551; 106.145; 104.953;  

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: 1518413
CIF file Formula: - C41 H39 N7 O5 -
Comments: Mahapatra, Ajit Kumar; Manna, Saikat Kumar; Maiti, Kalipada; Mondal, Sanchita; Maji, Rajkishor; Mandal, Debasish; Mandal, Sukhendu; Uddin, Md Raihan; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong-Kun An azodye-rhodamine-based fluorescent and colorimetric probe specific for the detection of Pd(2+) in aqueous ethanolic solution: synthesis, XRD characterization, computational studies and imaging in live cells. The Analyst 140(4) (2015) 1229-1236
Space group: P -1
Cell volume: 1826.7
Cell parameters: 10.244; 13.8307; 14.5665; 72.3415; 70.128; 75.9246;  

COD ID: 1518416
CIF file Formula: - C34 H35 N O14 -
Comments: Moon, Kyuho; Chung, Beomkoo; Shin, Yoonho; Rheingold, Arnold L.; Moore, Curtis E.; Park, Sung Jean; Park, Sunghyouk; Lee, Sang Kook; Oh, Ki-Bong; Shin, Jongheon; Oh, Dong-Chan Pentacyclic antibiotics from a tidal mud flat-derived actinomycete. Journal of natural products 78(3) (2015) 524-529
Space group: P 1
Cell volume: 1548.85
Cell parameters: 7.4957; 12.0298; 17.8347; 87.387; 87.555; 74.708;  

COD ID: 1518421
CIF file Formula: - C23 H28 N2 O4 S -
Comments: Xu, Hua-Dong; Jia, Zhi-Hong; Xu, Ke; Zhou, Hao; Shen, Mei-Hua One-Pot Protocol to Functionalized Benzopyrrolizidine Catalyzed Successively by Rh2(OAc)4 and Cu(OTf)2: A Transition Metal-Lewis Acid Catalysis Relay. Organic letters 17(1) (2015) 66-69
Space group: P 1 21/n 1
Cell volume: 2211.6
Cell parameters: 10.543; 9.344; 22.465; 90; 92.128; 90;  

COD ID: 1518422
CIF file Formula: - C23 H28 N2 O4 S -
Comments: Xu, Hua-Dong; Jia, Zhi-Hong; Xu, Ke; Zhou, Hao; Shen, Mei-Hua One-Pot Protocol to Functionalized Benzopyrrolizidine Catalyzed Successively by Rh2(OAc)4 and Cu(OTf)2: A Transition Metal-Lewis Acid Catalysis Relay. Organic letters 17(1) (2015) 66-69
Space group: P n a 21
Cell volume: 4388.3
Cell parameters: 26.688; 18.145; 9.062; 90; 90; 90;  

COD ID: 1518427
CIF file Formula: - C15 H9 F3 N2 O2 -
Comments: Kumar, Shailesh; Rathore, Vandana; Verma, Ajay; Prasad, Ch Durga; Kumar, Amit; Yadav, Abhimanyu; Jana, Sadhan; Sattar, Moh; Meenakshi, ?; Kumar, Sangit KO(t)Bu-Mediated Aerobic Transition-Metal-Free Regioselective β-Arylation of Indoles: Synthesis of β-(2-/4-Nitroaryl)-indoles. Organic letters 17(1) (2015) 82-85
Space group: P 1 21/n 1
Cell volume: 2625.8
Cell parameters: 16.6085; 7.853; 20.7239; 90; 103.721; 90;  

COD ID: 1518428
CIF file Formula: - C15 H11 Cl N2 O2 -
Comments: Kumar, Shailesh; Rathore, Vandana; Verma, Ajay; Prasad, Ch Durga; Kumar, Amit; Yadav, Abhimanyu; Jana, Sadhan; Sattar, Moh; Meenakshi, ?; Kumar, Sangit KO(t)Bu-Mediated Aerobic Transition-Metal-Free Regioselective β-Arylation of Indoles: Synthesis of β-(2-/4-Nitroaryl)-indoles. Organic letters 17(1) (2015) 82-85
Space group: C 1 2/c 1
Cell volume: 2689
Cell parameters: 19.16; 11.3942; 15.345; 90; 126.612; 90;  

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: 1518451
CIF file Formula: - C33 H31.75 N2 O5.88 -
Comments: Raeburn, Jaclyn; Mendoza-Cuenca, Cristina; Cattoz, Beatrice N.; Little, Marc A.; Terry, Ann E.; Zamith Cardoso, Andre; Griffiths, Peter C.; Adams, Dave J. The effect of solvent choice on the gelation and final hydrogel properties of Fmoc-diphenylalanine. Soft matter 11(5) (2015) 927-935
Space group: C 1 2 1
Cell volume: 5761
Cell parameters: 52.27; 5.01; 22.83; 90; 105.49; 90;  

COD ID: 1518452
CIF file Formula: - C36 H58 Cl N3 O2 -
Comments: Bandar, Jeffrey S.; Barthelme, Alexandre P.; Mazori, Alon Y.; Lambert, Tristan H. Structure-Activity Relationship Studies of Cyclopropenimines as Enantioselective Brønsted Base Catalysts. Chemical science (Royal Society of Chemistry : 2010) 6(2) (2015) 1537-1547
Space group: P 32
Cell volume: 2555
Cell parameters: 15.865; 15.865; 11.7214; 90; 90; 120;  

COD ID: 1518453
CIF file Formula: - C32 H31 F3 N4 O6 -
Comments: Jiao, Wei-Hua; Chen, Guo-Dong; Gao, Hao; Li, Jing; Gu, Bin-Bin; Xu, Ting-Ting; Yu, Hao-Bing; Shi, Guo-Hua; Yang, Fan; Yao, Xin-Sheng; Lin, Hou-Wen (±)-Quassidines I and J, Two Pairs of Cytotoxic Bis-β-carboline Alkaloid Enantiomers from Picrasma quassioides. Journal of natural products 78(1) (2015) 125-130
Space group: I 41/a
Cell volume: 11619.5
Cell parameters: 28.1062; 28.1062; 14.709; 90; 90; 90;  

COD ID: 1518454
CIF file Formula: - C11 H18 N8 O3 -
Comments: Gryl, Marlena; Cenedese, Simone; Stadnicka, Katarzyna Crystal Engineering and Charge Density Study of Pharmaceutical Nonlinear Optical Material: Melamine-Barbital Co-Crystal The Journal of Physical Chemistry C 119(1) (2015) 590
Space group: P m n 21
Cell volume: 753.12
Cell parameters: 9.5289; 9.1191; 8.667; 90; 90; 90;  

COD ID: 1518455
CIF file Formula: - C29 H37 N3 O4 -
Comments: Lee, Pin-Sheng; Yoshikai, Naohiko Cobalt-catalyzed enantioselective directed C-h alkylation of indole with styrenes. Organic letters 17(1) (2015) 22-25
Space group: P 21 21 21
Cell volume: 2589.6
Cell parameters: 7.788; 16.0615; 20.7023; 90; 90; 90;  

COD ID: 1518456
CIF file Formula: - C21 H28 O4 S -
Comments: Lan, Ping; Banwell, Martin G.; Willis, Anthony C. Chemoenzymatic Synthesis of the Enantiomer of 4,12-Dihydroxysterpurene, the Structure Assigned to a Metabolite Isolated from the Culture Broth of Stereum purpureum. Organic letters 17(1) (2015) 166-169
Space group: C 1 2 1
Cell volume: 1996.45
Cell parameters: 19.3925; 6.0017; 17.9993; 90; 107.635; 90;  

COD ID: 1518457
CIF file Formula: - C21 H28 O4 -
Comments: Lan, Ping; Banwell, Martin G.; Willis, Anthony C. Chemoenzymatic Synthesis of the Enantiomer of 4,12-Dihydroxysterpurene, the Structure Assigned to a Metabolite Isolated from the Culture Broth of Stereum purpureum. Organic letters 17(1) (2015) 166-169
Space group: P 21 21 21
Cell volume: 1869.29
Cell parameters: 6.2688; 16.308; 18.2849; 90; 90; 90;  

COD ID: 1518458
CIF file Formula: - C24 H25 N O5 -
Comments: Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines. Organic letters 17(1) (2015) 150-153
Space group: P 21 21 21
Cell volume: 2118.01
Cell parameters: 9.0419; 12.2803; 19.0748; 90; 90; 90;  

COD ID: 1518459
CIF file Formula: - C24 H23 N O4 -
Comments: Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines. Organic letters 17(1) (2015) 150-153
Space group: P 1 21/c 1
Cell volume: 2066.71
Cell parameters: 9.6257; 24.6776; 9.1983; 90; 108.936; 90;  

COD ID: 1518460
CIF file Formula: - C25 H25 N O4 -
Comments: Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines. Organic letters 17(1) (2015) 150-153
Space group: P -1
Cell volume: 2157.2
Cell parameters: 10.1067; 11.5787; 19.2079; 83.811; 82.159; 76.354;  

COD ID: 1518461
CIF file Formula: - C24 H21 Cl2 N O4 -
Comments: Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines. Organic letters 17(1) (2015) 150-153
Space group: C 1 2 1
Cell volume: 5550.3
Cell parameters: 21.3083; 16.6395; 17.8923; 90; 118.967; 90;  

COD ID: 1518462
CIF file Formula: - C21 H21 Br N2 O3 S -
Comments: Arai, Noriyoshi; Mizota, Moe; Ohkuma, Takeshi Stereoselective preparation of spiro[4.4] cyclic compounds by the photochemical activation of oxazoles. Organic letters 17(1) (2015) 86-89
Space group: P c a 21
Cell volume: 2005.97
Cell parameters: 24.0183; 11.2598; 7.4174; 90; 90; 90;  

COD ID: 1518463
CIF file Formula: - C21 H21 Br N2 O3 S -
Comments: Arai, Noriyoshi; Mizota, Moe; Ohkuma, Takeshi Stereoselective preparation of spiro[4.4] cyclic compounds by the photochemical activation of oxazoles. Organic letters 17(1) (2015) 86-89
Space group: P 1 21/n 1
Cell volume: 1949.2
Cell parameters: 8.12; 11.101; 21.7055; 90; 94.955; 90;  

COD ID: 1518464
CIF file Formula: - C19 H26 O7 -
Comments: Xu, Jin-Fang; Zhao, Hui-Jun; Wang, Xiao-Bing; Li, Zhong-Rui; Luo, Jun; Yang, Ming-Hua; Yang, Lei; Yu, Wen-Ying; Yao, He-Quan; Luo, Jian-Guang; Kong, Ling-Yi (±)-Melicolones A and B, Rearranged Prenylated Acetophenone Stereoisomers with an Unusual 9-Oxatricyclo[3.2.1.1(3,8)]nonane Core from the Leaves of Melicope ptelefolia. Organic letters 17(1) (2015) 146-149
Space group: P 21 21 21
Cell volume: 1870.85
Cell parameters: 9.1452; 12.5627; 16.2841; 90; 90; 90;  

COD ID: 1518465
CIF file Formula: - C19 H26 O7 -
Comments: Xu, Jin-Fang; Zhao, Hui-Jun; Wang, Xiao-Bing; Li, Zhong-Rui; Luo, Jun; Yang, Ming-Hua; Yang, Lei; Yu, Wen-Ying; Yao, He-Quan; Luo, Jian-Guang; Kong, Ling-Yi (±)-Melicolones A and B, Rearranged Prenylated Acetophenone Stereoisomers with an Unusual 9-Oxatricyclo[3.2.1.1(3,8)]nonane Core from the Leaves of Melicope ptelefolia. Organic letters 17(1) (2015) 146-149
Space group: P 32
Cell volume: 1382.97
Cell parameters: 9.2683; 9.2683; 18.5901; 90; 90; 120;  

COD ID: 1518466
CIF file Formula: - C24.5 H26.52 O7 -
Comments: McDonald, Benjamin R.; Nibbs, Antoinette E.; Scheidt, Karl A. A biomimetic strategy to access the silybins: total synthesis of (-)-isosilybin a. Organic letters 17(1) (2015) 98-101
Space group: C 1 2 1
Cell volume: 4372.4
Cell parameters: 43.491; 5.5109; 18.3225; 90; 95.331; 90;  

COD ID: 1518467
CIF file Formula: - C18 H26 O4 -
Comments: Suizu, Hiroshi; Shigeoka, Daisuke; Aoyama, Hiroshi; Yoshimitsu, Takehiko Total synthesis of clavilactone B: a radical cyclization-fragmentation strategy. Organic letters 17(1) (2015) 126-129
Space group: P -1
Cell volume: 804.4
Cell parameters: 7.1391; 7.5445; 15.455; 88.709; 83.268; 76.661;  

COD ID: 1518468
CIF file Formula: - C19 H24 O7 S -
Comments: Suizu, Hiroshi; Shigeoka, Daisuke; Aoyama, Hiroshi; Yoshimitsu, Takehiko Total synthesis of clavilactone B: a radical cyclization-fragmentation strategy. Organic letters 17(1) (2015) 126-129
Space group: P 1 21/n 1
Cell volume: 1894.9
Cell parameters: 16.194; 6.597; 18.175; 90; 102.603; 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: 1518470
CIF file Formula: - C18 H21 N3 O13 -
Comments: Ivanova, B.; Spiteller, M. Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil Environmental Geochemistry and Health (2015)
Space group: P 1 21/c 1
Cell volume: 2008
Cell parameters: 10.0519; 11.0764; 19.917; 90; 115.105; 90;  

COD ID: 1518471
CIF file Formula: - C8 H15 N2 O3 -
Comments: Ivanova, B.; Spiteller, M. Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil Environmental Geochemistry and Health (2015)
Space group: P 1 21/n 1
Cell volume: 957.8
Cell parameters: 8.504; 11.8666; 9.5595; 90; 96.868; 90;  

COD ID: 1518472
CIF file Formula: - C9 H17 N2 O2 -
Comments: Ivanova, B.; Spiteller, M. Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil Environmental Geochemistry and Health (2015)
Space group: P 1 21/c 1
Cell volume: 1061.2
Cell parameters: 10.928; 6.85; 14.18; 90; 91.265; 90;  

COD ID: 1518473
CIF file Formula: - C28 H27 N4 O16 -
Comments: Ivanova, B.; Spiteller, M. Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil Environmental Geochemistry and Health (2015)
Space group: C 1 2/c 1
Cell volume: 3031.2
Cell parameters: 17.65; 7.5376; 22.793; 90; 91.608; 90;  

COD ID: 1518474
CIF file Formula: - C8 H15 N2 O3 -
Comments: Ivanova, B.; Spiteller, M. Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil Environmental Geochemistry and Health (2015)
Space group: P 1 21/c 1
Cell volume: 934
Cell parameters: 10.028; 9.435; 11.76; 90; 122.95; 90;  

COD ID: 1518475
CIF file Formula: - C19 H22 N2 O13 -
Comments: Ivanova, B.; Spiteller, M. Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil Environmental Geochemistry and Health (2015)
Space group: P 1 21/n 1
Cell volume: 1990.5
Cell parameters: 9.975; 11.085; 18.066; 90; 94.823; 90;  

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: 1518481
CIF file Formula: - C12 H15 Cl O6 -
Comments: Wu, Jing; Tokunaga, Taiki; Kondo, Mitsuru; Ishigami, Kota; Tokuyama, Shinji; Suzuki, Tomohiro; Choi, Jae-Hoon; Hirai, Hirofumi; Kawagishi, Hirokazu Erinaceolactones A to C, from the Culture Broth of Hericium erinaceus. Journal of natural products 78(1) (2015) 155-158
Space group: P 1 21 1
Cell volume: 648.67
Cell parameters: 4.6451; 11.3065; 12.3885; 90; 94.458; 90;  

COD ID: 1518482
CIF file Formula: - C24 H20 N2 O -
Comments: Fan, Zhoulong; Song, Shanshan; Li, Wei; Geng, Kaijun; Xu, Youjun; Miao, Ze-Hong; Zhang, Ao Rh(III)-Catalyzed Redox-Neutral C-H Activation of Pyrazolones: An Economical Approach for the Synthesis of N-Substituted Indoles. Organic letters 17(2) (2015) 310-313
Space group: P b c a
Cell volume: 3789.2
Cell parameters: 8.8127; 13.2298; 32.5; 90; 90; 90;  

COD ID: 1518483
CIF file Formula: - C23 H24 Cl N O4 -
Comments: Craig, Alexander J.; van der Salm, Louise; Stevens-Cullinane, Lars; Lucas, Nigel T.; Tan, Eng Wui; Hawkins, Bill C. Expedient Metal-Free Synthesis of 1,3-Oxazinen-4-ones. Organic letters 17(2) (2015) 234-237
Space group: P -1
Cell volume: 1066.95
Cell parameters: 10.0098; 10.1777; 12.0505; 67.347; 70.617; 79.738;  

COD ID: 1518484
CIF file Formula: - C54 H75 N8 O16 S -
Comments: Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Raja, K. Muruga Poopathi; Gopi, Hosahudya N. Design of Stable β-Hairpin Mimetics through Backbone Disulfide Bonds. Organic letters 17(2) (2015) 230-233
Space group: P 1
Cell volume: 1499.6
Cell parameters: 9.1948; 12.5947; 13.668; 79.379; 77.83; 78.547;  

COD ID: 1518485
CIF file Formula: - C22 H16 I N O2 S -
Comments: Sun, Lang; Zhu, Yuanxun; Wang, Jing; Lu, Ping; Wang, Yanguang Lewis Acid Catalyzed Cascade Reaction of 3-(2-Benzenesulfonamide)propargylic Alcohols to Spiro[indene-benzosultam]s. Organic letters 17(2) (2015) 242-245
Space group: P 1 21/c 1
Cell volume: 1950.29
Cell parameters: 8.0428; 19.587; 12.8121; 90; 104.921; 90;  

COD ID: 1518486
CIF file Formula: - C21 H14 I N O2 S -
Comments: Sun, Lang; Zhu, Yuanxun; Wang, Jing; Lu, Ping; Wang, Yanguang Lewis Acid Catalyzed Cascade Reaction of 3-(2-Benzenesulfonamide)propargylic Alcohols to Spiro[indene-benzosultam]s. Organic letters 17(2) (2015) 242-245
Space group: P -1
Cell volume: 963.13
Cell parameters: 8.195; 10.1773; 11.9407; 86.942; 83.912; 76.661;  

COD ID: 1518487
CIF file Formula: - C24 H24 O6 -
Comments: Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons. Organic letters 17(2) (2015) 218-221
Space group: C 1 c 1
Cell volume: 1960
Cell parameters: 17.142; 9.0363; 12.653; 90; 90.03; 90;  

COD ID: 1518488
CIF file Formula: - C16 H16 O5 -
Comments: Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons. Organic letters 17(2) (2015) 218-221
Space group: P n a 21
Cell volume: 1395.8
Cell parameters: 14.969; 7.307; 12.761; 90; 90; 90;  

COD ID: 1518489
CIF file Formula: - C22 H14 Co2 O11 -
Comments: Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons. Organic letters 17(2) (2015) 218-221
Space group: P -1
Cell volume: 1139.7
Cell parameters: 8.0572; 8.3258; 17.63; 88.79; 84.64; 75.45;  

COD ID: 1518490
CIF file Formula: - C36 H34 Co2 F6 N O5 P2 -
Comments: Orgué, Sílvia; León, Thierry; Riera, Antoni; Verdaguer, Xavier Asymmetric Intermolecular Cobalt-Catalyzed Pauson-Khand Reaction Using a P-Stereogenic Bis-phosphane. Organic letters 17(2) (2015) 250-253
Space group: P 21 21 2
Cell volume: 3600.1
Cell parameters: 15.8829; 19.5684; 11.5831; 90; 90; 90;  

COD ID: 1518491
CIF file Formula: - C30 H37 Co2 N3 O5 P2 Si -
Comments: Orgué, Sílvia; León, Thierry; Riera, Antoni; Verdaguer, Xavier Asymmetric Intermolecular Cobalt-Catalyzed Pauson-Khand Reaction Using a P-Stereogenic Bis-phosphane. Organic letters 17(2) (2015) 250-253
Space group: P 1 21 1
Cell volume: 1646.3
Cell parameters: 8.8649; 20.8055; 9.1083; 90; 101.487; 90;  

COD ID: 1518492
CIF file Formula: - C32 H22 B Cl3 F4 N2 O2 -
Comments: Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes. Organic letters 17(2) (2015) 254-257
Space group: C 1 2/c 1
Cell volume: 6354.75
Cell parameters: 30.8526; 11.997; 18.7562; 90; 113.744; 90;  

COD ID: 1518493
CIF file Formula: - C15 H10 Cl N O3 -
Comments: Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes. Organic letters 17(2) (2015) 254-257
Space group: P 1 21/n 1
Cell volume: 1305.88
Cell parameters: 8.5347; 14.9824; 10.2813; 90; 96.632; 90;  

COD ID: 1518494
CIF file Formula: - C18 H20 N2 O2 S -
Comments: Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes. Organic letters 17(2) (2015) 254-257
Space group: P c a 21
Cell volume: 3253.32
Cell parameters: 12.7796; 13.8018; 18.4448; 90; 90; 90;  

COD ID: 1518495
CIF file Formula: - C16 H12 Br N3 -
Comments: Tang, Hai-Tao; Xiong, Kai; Li, Ren-Hao; Ding, Zong-Cang; Zhan, Zhuang-Ping Synthesis of 5,6-Dihydropyrazolo[1,5-c]quinazolines through Gold-Catalyzed Chemoselective Bicyclization of N-Propargylic Sulfonylhydrazones. Organic letters 17(2) (2015) 326-329
Space group: P 32
Cell volume: 983.1
Cell parameters: 10.18; 10.18; 10.954; 90; 90; 120;  

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: 1518533
CIF file Formula: - C90 H72 Ag12 F18 N6 O12 S6 -
Comments: Xu, Qing-Qing; Dong, Xi-Yan; Huang, Ren-Wu; Li, Bo; Zang, Shuang-Quan; Mak, Thomas C. W. A thermochromic silver nanocluster exhibiting dual emission character. Nanoscale 7(5) (2015) 1650-1654
Space group: R -3 :H
Cell volume: 8221.9
Cell parameters: 23.9571; 23.9571; 16.5415; 90; 90; 120;  

COD ID: 1518534
CIF file Formula: - C6 H4 F9 N3 O3 S -
Comments: Luo, Jiangshui; Jensen, Annemette H.; Brooks, Neil R.; Sniekers, Jeroen; Knipper, Martin; Aili, David; Li, Qingfeng; Vanroy, Bram; Wübbenhorst, Michael; Yan, Feng; Van Meervelt, Luc; Shao, Zhigang; Fang, Jianhua; Luo, Zheng-Hong; De Vos, Dirk E.; Binnemans, Koen; Fransaer, Jan 1,2,4-Triazolium perfluorobutanesulfonate as an archetypal pure protic organic ionic plastic crystal electrolyte for all-solid-state fuel cells Energy Environ. Sci. 8(4) (2015) 1276
Space group: P 1 21/n 1
Cell volume: 1292.64
Cell parameters: 5.2742; 8.2719; 29.673; 90; 93.124; 90;  

COD ID: 1518535
CIF file Formula: - C6 H4 F9 N3 O3 S -
Comments: Luo, Jiangshui; Jensen, Annemette H.; Brooks, Neil R.; Sniekers, Jeroen; Knipper, Martin; Aili, David; Li, Qingfeng; Vanroy, Bram; Wübbenhorst, Michael; Yan, Feng; Van Meervelt, Luc; Shao, Zhigang; Fang, Jianhua; Luo, Zheng-Hong; De Vos, Dirk E.; Binnemans, Koen; Fransaer, Jan 1,2,4-Triazolium perfluorobutanesulfonate as an archetypal pure protic organic ionic plastic crystal electrolyte for all-solid-state fuel cells Energy Environ. Sci. 8(4) (2015) 1276
Space group: P 1 21/n 1
Cell volume: 1331.59
Cell parameters: 5.351; 8.2492; 30.2383; 90; 93.95; 90;  

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;  


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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.