Crystallography Open Database

Result : There are 831 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

We are displaying first 300 results.

Searching journal of publication like 'Chem. Sci.' volume of publication is 6

COD ID: 1517271
CIF file Formula: - C371 H328 B16 Co8 F64 N72 O26 -
Comments: Cullen, William; Turega, Simon; Hunter, Christopher A.; Ward, Michael D. pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules Chem. Sci. 6(1) (2015) 625
Space group: C 1 2/c 1
Cell volume: 42973
Cell parameters: 27.3936; 39.1227; 41.964; 90; 107.152; 90;  

COD ID: 1517459
CIF file Formula: - C46 H44 Cl2 F6 N O7 P3 Ru S2 -
Comments: Wesselbaum, Sebastian; Moha, Verena; Meuresch, Markus; Brosinski, Sandra; Thenert, Katharina M.; Kothe, Jens; Stein, Thorsten vom; Englert, Ulli; Hölscher, Markus; Klankermayer, Jürgen; Leitner, Walter Hydrogenation of carbon dioxide to methanol using a homogeneous ruthenium‒Triphos catalyst: from mechanistic investigations to multiphase catalysis Chem. Sci. 6(1) (2015) 693
Space group: P 1 21 1
Cell volume: 2439.3
Cell parameters: 12.731; 15.301; 13.247; 90; 109.038; 90;  

COD ID: 1517514
CIF file Formula: - C12 H12 F6 P Tc -
Comments: Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci. 6(1) (2015) 165
Space group: P 1 21/c 1
Cell volume: 1328.73
Cell parameters: 13.8831; 9.8745; 9.719; 90; 94.232; 90;  

COD ID: 1517515
CIF file Formula: - C14 H16 F6 P Tc -
Comments: Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci. 6(1) (2015) 165
Space group: P 1 21/n 1
Cell volume: 754.2
Cell parameters: 7.7559; 11.003; 8.9353; 90; 98.474; 90;  

COD ID: 1517516
CIF file Formula: - C18 H24 F6 P Tc -
Comments: Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci. 6(1) (2015) 165
Space group: P 21 21 21
Cell volume: 1916
Cell parameters: 9.2697; 13.0695; 15.815; 90; 90; 90;  

COD ID: 1517517
CIF file Formula: - C20 H24 F6 P Tc -
Comments: Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci. 6(1) (2015) 165
Space group: P 1 21/n 1
Cell volume: 965.8
Cell parameters: 8.7563; 12.1899; 9.5187; 90; 108.089; 90;  

COD ID: 1517518
CIF file Formula: - C21 H49 Al Cl7 N7 O7 Tc -
Comments: Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci. 6(1) (2015) 165
Space group: P 1 21 1
Cell volume: 2001.92
Cell parameters: 8.8724; 23.5963; 9.6318; 90; 96.888; 90;  

COD ID: 1517671
CIF file Formula: - C22 H19 F O2 -
Comments: Alza, Esther; Laraia, Luca; Ibbeson, Brett M.; Collins, Súil; Galloway, Warren R. J. D.; Stokes, Jamie E.; Venkitaraman, Ashok R.; Spring, David R. Synthesis of a novel polycyclic ring scaffold with antimitotic properties via a selective domino Heck‒Suzuki reaction Chem. Sci. 6(1) (2015) 390
Space group: P 1 21/c 1
Cell volume: 1694.9
Cell parameters: 15.5436; 8.7069; 12.5382; 90; 92.769; 90;  

COD ID: 1517680
CIF file Formula: - C39 H36 Ag3 F9 N12 O9.5 S3 -
Comments: He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci. 6(1) (2015) 654
Space group: P 1 21/n 1
Cell volume: 4733.8
Cell parameters: 13.528; 20.05; 18.26; 90; 107.1; 90;  

COD ID: 1517681
CIF file Formula: - C40 H36 Ag5 F9 N12 O10 S4 -
Comments: He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci. 6(1) (2015) 654
Space group: P 21 21 21
Cell volume: 5195.8
Cell parameters: 10.57; 21.277; 23.103; 90; 90; 90;  

COD ID: 1517682
CIF file Formula: - C75 H72 Ag5 F9 N24 O9 S4 -
Comments: He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci. 6(1) (2015) 654
Space group: C 1 2/c 1
Cell volume: 8615
Cell parameters: 23.725; 19.387; 18.732; 90; 90.71; 90;  

COD ID: 1517683
CIF file Formula: - C40 H36 Ag6 F10.5 N12 O16 S4.5 -
Comments: He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci. 6(1) (2015) 654
Space group: P b c n
Cell volume: 11624
Cell parameters: 12.772; 35.464; 25.664; 90; 90; 90;  

COD ID: 1517789
CIF file Formula: - C51 H54 O6 -
Comments: Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju Biphen[n]arenes Chem. Sci. 6(1) (2015) 197
Space group: P -1
Cell volume: 4244.3
Cell parameters: 13.7149; 15.9855; 20.8687; 103.455; 105.879; 93.251;  

COD ID: 1517790
CIF file Formula: - C68 H72 O8 -
Comments: Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju Biphen[n]arenes Chem. Sci. 6(1) (2015) 197
Space group: P 1 21/c 1
Cell volume: 2731.2
Cell parameters: 11.5532; 30.664; 7.71; 90; 90.771; 90;  

COD ID: 1517834
CIF file Formula: - C16 H15 N5 O2 -
Comments: Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch Chem. Sci. 6(1) (2015) 209
Space group: P 1 21/c 1
Cell volume: 1499.61
Cell parameters: 11.641; 8.7512; 14.7356; 90; 92.598; 90;  

COD ID: 1517835
CIF file Formula: - C19 H20.5 Cl N6.5 O7 Zn -
Comments: Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch Chem. Sci. 6(1) (2015) 209
Space group: C 1 2/c 1
Cell volume: 4531.9
Cell parameters: 22.782; 7.5608; 26.996; 90; 102.942; 90;  

COD ID: 1517851
CIF file Formula: - C23 H17 N O6 -
Comments: Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G. New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species Chem. Sci. 6(1) (2015) 123
Space group: P b c a
Cell volume: 3671.6
Cell parameters: 21.073; 7.448; 23.393; 90; 90; 90;  

COD ID: 1517852
CIF file Formula: - C111 H92 Co4 N16 O16 -
Comments: Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G. New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species Chem. Sci. 6(1) (2015) 123
Space group: C 1 2/c 1
Cell volume: 9726
Cell parameters: 16.833; 19.112; 30.84; 90; 101.398; 90;  

COD ID: 1517853
CIF file Formula: - C194 H158 B2 Co8 F8 N24 Na4 O34 -
Comments: Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G. New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species Chem. Sci. 6(1) (2015) 123
Space group: P 1 21/c 1
Cell volume: 9445.7
Cell parameters: 18.4101; 17.6277; 30.4003; 90; 106.78; 90;  

COD ID: 1517854
CIF file Formula: - C62 H87 N O7 S U -
Comments: Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes Chem. Sci. 6(1) (2015) 275
Space group: P -1
Cell volume: 2772.5
Cell parameters: 14.4228; 14.8678; 15.4212; 112.831; 96.488; 108.933;  

COD ID: 1517855
CIF file Formula: - C64 H83 N O5 Se U -
Comments: Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes Chem. Sci. 6(1) (2015) 275
Space group: P -1
Cell volume: 5550.2
Cell parameters: 16.827; 17.007; 19.804; 88.022; 80.746; 82.903;  

COD ID: 1517856
CIF file Formula: - C58 H77 N O5 Te U -
Comments: Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes Chem. Sci. 6(1) (2015) 275
Space group: P -1
Cell volume: 2531.7
Cell parameters: 11.2439; 12.9994; 18.636; 102.273; 101.519; 100.806;  

COD ID: 1517857
CIF file Formula: - C124.5 H154.5 N2 O6 S2 U2 -
Comments: Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes Chem. Sci. 6(1) (2015) 275
Space group: P -1
Cell volume: 5361.1
Cell parameters: 11.1756; 16.817; 28.662; 85.233; 87.451; 88.366;  

COD ID: 1517858
CIF file Formula: - C126 H156 N2 O6 Se2 U2 -
Comments: Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes Chem. Sci. 6(1) (2015) 275
Space group: P -1
Cell volume: 5384.5
Cell parameters: 11.217; 16.815; 28.68; 85.324; 87.434; 88.412;  

COD ID: 1517859
CIF file Formula: - C150 H179.5 N2 O6.35 Te2 U2 -
Comments: Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes Chem. Sci. 6(1) (2015) 275
Space group: P -1
Cell volume: 6426.8
Cell parameters: 16.773; 16.923; 25.039; 105.196; 102.968; 101.507;  

COD ID: 1517871
CIF file Formula: - C29 H17 Cl2 F12 Fe Hg3 P5 -
Comments: Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci. 6(1) (2015) 132
Space group: P -1
Cell volume: 1782.43
Cell parameters: 11.733; 12.1852; 13.1641; 85.129; 80.243; 74.103;  

COD ID: 1517872
CIF file Formula: - C29 H17 As5 Cl2 F12 Fe Hg3 -
Comments: Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci. 6(1) (2015) 132
Space group: P -1
Cell volume: 1878.24
Cell parameters: 11.9982; 13.3448; 14.1016; 65.329; 78.072; 66.415;  

COD ID: 1517873
CIF file Formula: - C9 H13 Fe P5 -
Comments: Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci. 6(1) (2015) 132
Space group: P n m a
Cell volume: 4063.73
Cell parameters: 11.4347; 23.4865; 15.1315; 90; 90; 90;  

COD ID: 1517874
CIF file Formula: - C13 H21 Fe P5 -
Comments: Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci. 6(1) (2015) 132
Space group: P c a 21
Cell volume: 1746.1
Cell parameters: 18.7588; 6.5778; 14.1509; 90; 90; 90;  

COD ID: 1517875
CIF file Formula: - C17 H29 Fe P5 -
Comments: Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci. 6(1) (2015) 132
Space group: P 1 21/c 1
Cell volume: 2120.87
Cell parameters: 9.0507; 25.602; 10.1648; 90; 115.783; 90;  

COD ID: 1517876
CIF file Formula: - C31 H21 F12 Fe Hg3 P5 -
Comments: Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci. 6(1) (2015) 132
Space group: P -1
Cell volume: 1826.58
Cell parameters: 12.0744; 12.2486; 14.5238; 69.244; 82.395; 65.44;  

COD ID: 1517877
CIF file Formula: - C36.5 H32 Cl3 F12 Fe Hg3 P5 -
Comments: Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci. 6(1) (2015) 132
Space group: P 1 21 1
Cell volume: 4496.14
Cell parameters: 12.3145; 26.4751; 14.4338; 90; 107.168; 90;  

COD ID: 1517878
CIF file Formula: - C55 H53 As15 F12 Fe3 Hg3 -
Comments: Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci. 6(1) (2015) 132
Space group: C 1 2/c 1
Cell volume: 14304.9
Cell parameters: 48.2155; 14.138; 22.3159; 90; 109.887; 90;  

COD ID: 1517879
CIF file Formula: - C19 H2 Cl2 F12 Hg3 -
Comments: Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci. 6(1) (2015) 132
Space group: P -1
Cell volume: 1081.75
Cell parameters: 9.2776; 9.7199; 12.7689; 103.463; 100.8; 97.447;  

COD ID: 1517880
CIF file Formula: - C28 H15 Cl2 F12 Fe Hg3 P5 -
Comments: Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury Chem. Sci. 6(1) (2015) 132
Space group: P -1
Cell volume: 1806.94
Cell parameters: 11.6373; 11.8015; 15.7005; 89.754; 68.252; 66.286;  

COD ID: 1517881
CIF file Formula: - C26 H24 F18 Li2 O2 -
Comments: Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B. Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups Chem. Sci. 6(1) (2015) 308
Space group: P -1
Cell volume: 1539.05
Cell parameters: 9.0486; 12.7853; 14.6892; 84.024; 74.906; 69.739;  

COD ID: 1517882
CIF file Formula: - C28 H17 B F18 -
Comments: Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B. Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups Chem. Sci. 6(1) (2015) 308
Space group: P 1 21/n 1
Cell volume: 2765.78
Cell parameters: 9.1239; 24.4308; 12.5042; 90; 97.114; 90;  

COD ID: 1517883
CIF file Formula: - C36 H36 B N -
Comments: Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B. Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups Chem. Sci. 6(1) (2015) 308
Space group: P 1 21/n 1
Cell volume: 2831.26
Cell parameters: 8.8391; 34.0268; 9.5807; 90; 100.72; 90;  

COD ID: 1517884
CIF file Formula: - C36 H18 B F18 N -
Comments: Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B. Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups Chem. Sci. 6(1) (2015) 308
Space group: I 41
Cell volume: 13909.5
Cell parameters: 23.5023; 23.5023; 25.182; 90; 90; 90;  

COD ID: 1517885
CIF file Formula: - C24 H9 B F18 -
Comments: Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B. Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups Chem. Sci. 6(1) (2015) 308
Space group: P b c a
Cell volume: 4830
Cell parameters: 15.56; 8.7136; 35.624; 90; 90; 90;  

COD ID: 1517951
CIF file Formula: - C252 H276 Co4 F36 N48 P6 -
Comments: Symmers, P. R.; Burke, M. J.; August, D. P.; Thomson, P. I. T.; Nichol, G. S.; Warren, M. R.; Campbell, C. J.; Lusby, P. J. Non-equilibrium cobalt(iii) “click” capsules Chem. Sci. 6(1) (2015) 756
Space group: R -3
Cell volume: 57278
Cell parameters: 30.5162; 30.5162; 71.022; 90; 90; 120;  

COD ID: 1517963
CIF file Formula: - F0.5 O32.5 Si16 -
Comments: Jiang, Jiuxing; Yun, Yifeng; Zou, Xiaodong; Jorda, Jose Luis; Corma, Avelino ITQ-54: a multi-dimensional extra-large pore zeolite with 20 ×14 ×12-ring channels Chem. Sci. 6(1) (2015) 480
Space group: I m m m
Cell volume: 10562.1
Cell parameters: 26.585; 24.926; 15.939; 90; 90; 90;  

COD ID: 1517964
CIF file Formula: - C36 H30 Cl4 Ni P2 -
Comments: Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G. Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl Chem. Sci. 6(2) (2015) 917
Space group: P b c a
Cell volume: 6592
Cell parameters: 17.435; 15.662; 24.139; 90; 90; 90;  

COD ID: 1517965
CIF file Formula: - C18 H15 Cl2 P -
Comments: Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G. Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl Chem. Sci. 6(2) (2015) 917
Space group: P 1 21/c 1
Cell volume: 1637
Cell parameters: 13.338; 14.376; 8.7454; 90; 102.53; 90;  

COD ID: 1517966
CIF file Formula: - C19 H15 Cl F3 O3 P S -
Comments: Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G. Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl Chem. Sci. 6(2) (2015) 917
Space group: P 1 21/n 1
Cell volume: 1918.8
Cell parameters: 11.255; 9.1501; 18.658; 90; 93.04; 90;  

COD ID: 1517967
CIF file Formula: - C40 H48 Cl4 Ni O4 P2 -
Comments: Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G. Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl Chem. Sci. 6(2) (2015) 917
Space group: P 1 21/n 1
Cell volume: 4061.4
Cell parameters: 10.1261; 23.4579; 17.8192; 90; 106.355; 90;  

COD ID: 1517970
CIF file Formula: - C12 H12 Au Br2 N O -
Comments: Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation Chem. Sci. 6(1) (2015) 288
Space group: P -1
Cell volume: 708.82
Cell parameters: 7.0801; 10.0993; 10.1771; 97.689; 99.69; 92.96;  

COD ID: 1517971
CIF file Formula: - C18 H15 Au Br N -
Comments: Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation Chem. Sci. 6(1) (2015) 288
Space group: P b c a
Cell volume: 3148.98
Cell parameters: 15.9554; 11.7205; 16.839; 90; 90; 90;  

COD ID: 1517972
CIF file Formula: - C18 H16 Au Cl2 N -
Comments: Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation Chem. Sci. 6(1) (2015) 288
Space group: P -1
Cell volume: 876.93
Cell parameters: 7.8572; 8.2744; 15.3789; 93.413; 103.381; 113.776;  

COD ID: 1517979
CIF file Formula: - C19 H16 N2 O3 -
Comments: Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures Chem. Sci. 6(1) (2015) 457
Space group: P 1 21 1
Cell volume: 1539.33
Cell parameters: 6.8436; 26.8023; 8.3932; 90; 90.9; 90;  

COD ID: 1517980
CIF file Formula: - C19 H16 N2 O3 -
Comments: Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures Chem. Sci. 6(1) (2015) 457
Space group: P 1 21 1
Cell volume: 1542.63
Cell parameters: 6.8507; 26.777; 8.4103; 90; 90.84; 90;  

COD ID: 1517981
CIF file Formula: - C26 H22 N2 O3 -
Comments: Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures Chem. Sci. 6(1) (2015) 457
Space group: P 1 21 1
Cell volume: 1017.11
Cell parameters: 5.4249; 16.5948; 11.417; 90; 98.277; 90;  

COD ID: 1517982
CIF file Formula: - C26 H22 N2 O3 -
Comments: Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures Chem. Sci. 6(1) (2015) 457
Space group: P 1 21 1
Cell volume: 1018.05
Cell parameters: 5.4288; 16.6067; 11.4114; 90; 98.2867; 90;  

COD ID: 1517983
CIF file Formula: - C57 H49.5 Eu N6 O11.5 -
Comments: Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures Chem. Sci. 6(1) (2015) 457
Space group: C 2 2 21
Cell volume: 21165.6
Cell parameters: 26.0015; 26.4029; 30.8305; 90; 90; 90;  

COD ID: 1517990
CIF file Formula: - C197.82 H137.82 Cl5.46 -
Comments: Matsuno, Taisuke; Sato, Sota; Iizuka, Ryosuke; Isobe, Hiroyuki Molecular recognition in curved π-systems: effects of π-lengthening of tubular molecules on thermodynamics and structures Chem. Sci. 6(2) (2015) 909
Space group: C 1 2 1
Cell volume: 29229
Cell parameters: 53.108; 21.244; 26.197; 90; 98.53; 90;  

COD ID: 1518019
CIF file Formula: - C36 H66 Al Cl5 P2 Pb Pt -
Comments: Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci. 6(1) (2015) 425
Space group: P c a 21
Cell volume: 8685.7
Cell parameters: 25.2527; 13.9068; 24.7327; 90; 90; 90;  

COD ID: 1518020
CIF file Formula: - C120 H156 B2 Cl18 P4 Pb2 Pt2 -
Comments: Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci. 6(1) (2015) 425
Space group: P -1
Cell volume: 3054.9
Cell parameters: 10.5092; 15.3892; 20.0776; 109.785; 90.439; 90.796;  

COD ID: 1518021
CIF file Formula: - C36 H66 Al Cl4 I P2 Pb Pt -
Comments: Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci. 6(1) (2015) 425
Space group: P -1
Cell volume: 2291
Cell parameters: 13.381; 13.612; 13.987; 92.698; 111.864; 101.984;  

COD ID: 1518022
CIF file Formula: - C36 H66 Al2 Cl8 P2 Pb Pt -
Comments: Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci. 6(1) (2015) 425
Space group: C 1 2/c 1
Cell volume: 4923.1
Cell parameters: 20.719; 10.6901; 23.859; 90; 111.311; 90;  

COD ID: 1518023
CIF file Formula: - C72 H132 Br2 P4 Pt2 Sn -
Comments: Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci. 6(1) (2015) 425
Space group: P -1
Cell volume: 3643.1
Cell parameters: 13.9687; 14.2448; 21.1628; 96.439; 101.9; 114.878;  

COD ID: 1518024
CIF file Formula: - C36 H66 Al Br5 P2 Pt Sn -
Comments: Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci. 6(1) (2015) 425
Space group: P -1
Cell volume: 2245.2
Cell parameters: 11.5394; 12.469; 17.7; 105.191; 100.053; 107.994;  

COD ID: 1518025
CIF file Formula: - C60 H78 B Br Cl8 P2 Pt Sn -
Comments: Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci. 6(1) (2015) 425
Space group: P -1
Cell volume: 3169.9
Cell parameters: 13.5049; 15.4437; 15.6528; 82.203; 78.913; 85.651;  

COD ID: 1518026
CIF file Formula: - C36 H66 Al2 Br8 P2 Pt Sn -
Comments: Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci. 6(1) (2015) 425
Space group: P 1 21/n 1
Cell volume: 5104.1
Cell parameters: 13.2989; 22.907; 16.964; 90; 99.008; 90;  

COD ID: 1518027
CIF file Formula: - C56 H110 Br3 N O P2 Pt Sn -
Comments: Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S. Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum Chem. Sci. 6(1) (2015) 425
Space group: P -1
Cell volume: 6617
Cell parameters: 15.687; 20.715; 21.567; 75.297; 82.231; 78.538;  

COD ID: 1518028
CIF file Formula: - C36 H49.5 Cl F12 Fe Li2 N O6 -
Comments: Pascualini, M. E.; Di Russo, N. V.; Thuijs, A. E.; Ozarowski, A.; Stoian, S. A.; Abboud, K. A.; Christou, G.; Veige, A. S. A high-spin square-planar Fe(ii) complex stabilized by a trianionic pincer-type ligand and conclusive evidence for retention of geometry and spin state in solution Chem. Sci. 6(1) (2015) 608
Space group: P -1
Cell volume: 2125.4
Cell parameters: 12.26; 12.5792; 15.8788; 75.171; 71.664; 67.768;  

COD ID: 1518079
CIF file Formula: - C12 As2 F21 Se2 -
Comments: Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens Diaryldichalcogenide radical cations Chem. Sci. 6(1) (2015) 497
Space group: P -1
Cell volume: 1025.1
Cell parameters: 8.5406; 8.5891; 14.093; 84.9; 84.781; 88.091;  

COD ID: 1518080
CIF file Formula: - C48 H50 S2 -
Comments: Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens Diaryldichalcogenide radical cations Chem. Sci. 6(1) (2015) 497
Space group: P 1 21/n 1
Cell volume: 3891.7
Cell parameters: 15.695; 15.264; 16.274; 90; 93.45; 90;  

COD ID: 1518081
CIF file Formula: - C48 H50 F6 S2 Sb -
Comments: Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens Diaryldichalcogenide radical cations Chem. Sci. 6(1) (2015) 497
Space group: P 1 21/n 1
Cell volume: 4434.3
Cell parameters: 16.17; 15.837; 17.339; 90; 92.97; 90;  

COD ID: 1518082
CIF file Formula: - C49 H52 Cl2 F6 Sb Se2 -
Comments: Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens Diaryldichalcogenide radical cations Chem. Sci. 6(1) (2015) 497
Space group: P 1 21/c 1
Cell volume: 4859
Cell parameters: 19.147; 15.238; 16.653; 90; 90.08; 90;  

COD ID: 1518083
CIF file Formula: - C51 H55 F6 N Sb Te2 -
Comments: Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens Diaryldichalcogenide radical cations Chem. Sci. 6(1) (2015) 497
Space group: C 1 2/c 1
Cell volume: 5019
Cell parameters: 19.854; 14.726; 17.178; 90; 92.07; 90;  

COD ID: 1518084
CIF file Formula: - C12 F21 S2 Sb2 -
Comments: Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens Diaryldichalcogenide radical cations Chem. Sci. 6(1) (2015) 497
Space group: P 1 21/n 1
Cell volume: 2113.3
Cell parameters: 12.029; 12.276; 14.44; 90; 97.662; 90;  

COD ID: 1518097
CIF file Formula: - C60 H78 Cl2 Ir N2 O6.5 P2 S2 -
Comments: Oldenhof, Sander; Lutz, Martin; de Bruin, Bas; Ivar van der Vlugt, Jarl; Reek, Joost N. H. Dehydrogenation of formic acid by Ir‒bisMETAMORPhos complexes: experimental and computational insight into the role of a cooperative ligand Chem. Sci. 6(2) (2015) 1027
Space group: P -1
Cell volume: 3226
Cell parameters: 11.6106; 17.2668; 18.6161; 113.198; 95.475; 105.211;  

COD ID: 1518098
CIF file Formula: - C30 H25 N O4 -
Comments: Berger, Reinhard; Wagner, Manfred; Feng, Xinliang; Müllen, Klaus Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics Chem. Sci. 6(1) (2015) 436
Space group: P -1
Cell volume: 2295
Cell parameters: 12.1231; 12.9429; 17.2915; 95.734; 108.021; 113.144;  

COD ID: 1518099
CIF file Formula: - C38.5 H20 Cl F10 N -
Comments: Berger, Reinhard; Wagner, Manfred; Feng, Xinliang; Müllen, Klaus Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics Chem. Sci. 6(1) (2015) 436
Space group: P -1
Cell volume: 3083.7
Cell parameters: 12.6166; 16.35; 16.738; 87.227; 75.478; 67.501;  

COD ID: 1518139
CIF file Formula: - C40 H60 Cu3 K N8 O54 Ru Si W11 -
Comments: Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation Chem. Sci. 6(2) (2015) 1035
Space group: P -4 21 m
Cell volume: 9142
Cell parameters: 24.415; 24.415; 15.337; 90; 90; 90;  

COD ID: 1518140
CIF file Formula: - C40 H58 Cu2 K N8 O52 Ru Si W11 -
Comments: Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation Chem. Sci. 6(2) (2015) 1035
Space group: P c c n
Cell volume: 8835.3
Cell parameters: 17.8663; 22.1923; 22.2835; 90; 90; 90;  

COD ID: 1518141
CIF file Formula: - C13 H14 N2 O2 -
Comments: Brachet, E.; Ghosh, T.; Ghosh, I.; König, B. Visible light C‒H amidation of heteroarenes with benzoyl azides Chem. Sci. 6(2) (2015) 987
Space group: P 1 21/c 1
Cell volume: 2372.35
Cell parameters: 11.6434; 10.03245; 20.857; 90; 103.161; 90;  

COD ID: 1518142
CIF file Formula: - C13 H10 N2 O4 -
Comments: Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications Chem. Sci. 6(2) (2015) 1043
Space group: P 1 21/n 1
Cell volume: 1178.81
Cell parameters: 8.3156; 9.9732; 14.574; 90; 102.762; 90;  

COD ID: 1518143
CIF file Formula: - C13 H9 N2 O4 -
Comments: Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications Chem. Sci. 6(2) (2015) 1043
Space group: P 1 21 1
Cell volume: 1197.51
Cell parameters: 8.3745; 10.0838; 14.5833; 90; 103.496; 90;  

COD ID: 1518144
CIF file Formula: - C13 H9 F N2 O4 -
Comments: Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications Chem. Sci. 6(2) (2015) 1043
Space group: P 1 21/c 1
Cell volume: 1175.11
Cell parameters: 7.24677; 14.8112; 11.0943; 90; 99.3083; 90;  

COD ID: 1518145
CIF file Formula: - C13 H9 F N2 O4 -
Comments: Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications Chem. Sci. 6(2) (2015) 1043
Space group: P 1 21 1
Cell volume: 583.14
Cell parameters: 7.1667; 5.2718; 15.7374; 90; 101.26; 90;  

COD ID: 1518146
CIF file Formula: - C13 H9 F N2 O4 -
Comments: Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications Chem. Sci. 6(2) (2015) 1043
Space group: P 1 21 1
Cell volume: 576.63
Cell parameters: 7.1322; 5.2282; 15.7662; 90; 101.237; 90;  

COD ID: 1518147
CIF file Formula: - C13 H9 F N2 O4 -
Comments: Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications Chem. Sci. 6(2) (2015) 1043
Space group: P 21 21 21
Cell volume: 1209.65
Cell parameters: 6.56098; 13.5445; 13.6122; 90; 90; 90;  

COD ID: 1518148
CIF file Formula: - C12 H40 B4 N4 O6 -
Comments: Kalviri, Hassan A.; Gärtner, Felix; Ye, Gang; Korobkov, Ilia; Baker, R. Tom Probing the second dehydrogenation step in ammonia-borane dehydrocoupling: characterization and reactivity of the key intermediate, B-(cyclotriborazanyl)amine-borane Chem. Sci. 6(1) (2015) 618
Space group: P 1 21/n 1
Cell volume: 2201.4
Cell parameters: 16.026; 8.7017; 17.485; 90; 115.469; 90;  

COD ID: 1518149
CIF file Formula: - C4 H26 B4 N4 O2 -
Comments: Kalviri, Hassan A.; Gärtner, Felix; Ye, Gang; Korobkov, Ilia; Baker, R. Tom Probing the second dehydrogenation step in ammonia-borane dehydrocoupling: characterization and reactivity of the key intermediate, B-(cyclotriborazanyl)amine-borane Chem. Sci. 6(1) (2015) 618
Space group: P -1
Cell volume: 680.64
Cell parameters: 6.9419; 8.8077; 12.4471; 91.79; 103.761; 111.731;  

COD ID: 1518154
CIF file Formula: - C22 H22.5 B Cl Cr F4 N4.5 O3 -
Comments: Kotani, Hiroaki; Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko Formation and characterization of a reactive chromium(v)‒oxo complex: mechanistic insight into hydrogen-atom transfer reactions Chem. Sci. 6(2) (2015) 945
Space group: P b c n
Cell volume: 4874.5
Cell parameters: 14.5572; 13.9044; 24.0822; 90; 90; 90;  

COD ID: 1518155
CIF file Formula: - C21 H20 B2 Cr F8 N5 O2 -
Comments: Kotani, Hiroaki; Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko Formation and characterization of a reactive chromium(v)‒oxo complex: mechanistic insight into hydrogen-atom transfer reactions Chem. Sci. 6(2) (2015) 945
Space group: P 1 21/c 1
Cell volume: 2419.7
Cell parameters: 9.683; 22.83; 11.317; 90; 104.712; 90;  

COD ID: 1518167
CIF file Formula: - C51 H99 K N2 O6 Si6 Th -
Comments: Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state Chem. Sci. 6(1) (2015) 517
Space group: P -1
Cell volume: 3246.1
Cell parameters: 12.1595; 12.7622; 22.2587; 100.93; 104.448; 95.5814;  

COD ID: 1518168
CIF file Formula: - C53 H103 K O8 Si6 Th -
Comments: Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state Chem. Sci. 6(1) (2015) 517
Space group: P 1 21/n 1
Cell volume: 6915.8
Cell parameters: 17.1884; 18.0161; 22.654; 90; 99.6558; 90;  

COD ID: 1518169
CIF file Formula: - C33 H63 Si6 Th -
Comments: Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state Chem. Sci. 6(1) (2015) 517
Space group: P 1 21/c 1
Cell volume: 4244.2
Cell parameters: 17.547; 13.6955; 19.1293; 90; 112.595; 90;  

COD ID: 1518170
CIF file Formula: - C30 H50 Si4 Th -
Comments: Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state Chem. Sci. 6(1) (2015) 517
Space group: C 1 2/c 1
Cell volume: 3292.1
Cell parameters: 20.2007; 8.1694; 19.9544; 90; 91.3531; 90;  

COD ID: 1518200
CIF file Formula: - C28 H20 N4 -
Comments: Rijeesh, K.; Hashim, P. K.; Noro, Shin-ichiro; Tamaoki, Nobuyuki Dynamic induction of enantiomeric excess from a prochiral azobenzene dimer under circularly polarized light Chem. Sci. 6(2) (2015) 973
Space group: P -1
Cell volume: 1081.87
Cell parameters: 7.8497; 10.7861; 14.7876; 109.56; 91.8983; 111.312;  

COD ID: 1518209
CIF file Formula: - C11 H7 Au Cl2 F N -
Comments: Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci. 6(2) (2015) 981
Space group: P 1 21/c 1
Cell volume: 1084.5
Cell parameters: 9.1445; 7.8648; 15.71; 90; 106.294; 90;  

COD ID: 1518210
CIF file Formula: - C24 H18 Au F2 N -
Comments: Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci. 6(2) (2015) 981
Space group: P -1
Cell volume: 3908.3
Cell parameters: 14.8527; 16.3867; 17.62; 90.156; 91.414; 114.256;  

COD ID: 1518211
CIF file Formula: - C27 H20 Au Cl2 F6 N -
Comments: Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci. 6(2) (2015) 981
Space group: P -1
Cell volume: 1258.9
Cell parameters: 9.334; 11.4331; 12.8416; 73.407; 81.938; 73.869;  

COD ID: 1518212
CIF file Formula: - C24 H18 Au N3 O4 -
Comments: Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci. 6(2) (2015) 981
Space group: P b c n
Cell volume: 4130.7
Cell parameters: 11.1263; 14.1527; 26.2319; 90; 90; 90;  

COD ID: 1518213
CIF file Formula: - C28 H20 Au N S2 -
Comments: Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci. 6(2) (2015) 981
Space group: I 41/a
Cell volume: 9231.1
Cell parameters: 35.5669; 35.5669; 7.2973; 90; 90; 90;  

COD ID: 1518214
CIF file Formula: - C26 H24 Au N -
Comments: Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci. 6(2) (2015) 981
Space group: P 1 21/n 1
Cell volume: 2049.8
Cell parameters: 7.5722; 16.2301; 16.7076; 90; 93.349; 90;  

COD ID: 1518215
CIF file Formula: - C30 H32 Au N O2 -
Comments: Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci. 6(2) (2015) 981
Space group: C 1 2/c 1
Cell volume: 5525.8
Cell parameters: 19.4071; 15.6565; 19.6251; 90; 112.078; 90;  

COD ID: 1518216
CIF file Formula: - C18 H14 Au Cl F N -
Comments: Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci. 6(2) (2015) 981
Space group: P 1 21/c 1
Cell volume: 1538.3
Cell parameters: 9.4066; 13.227; 13.1786; 90; 110.251; 90;  

COD ID: 1518217
CIF file Formula: - C22 H17 Au Cl N -
Comments: Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci. 6(2) (2015) 981
Space group: P 1 21/c 1
Cell volume: 1752.7
Cell parameters: 10.34; 18.881; 9.579; 90; 110.408; 90;  

COD ID: 1518218
CIF file Formula: - C20.62 H17.23 Au Cl1.23 N O -
Comments: Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci. 6(2) (2015) 981
Space group: P c a 21
Cell volume: 1796.79
Cell parameters: 22.3204; 11.4097; 7.0554; 90; 90; 90;  

COD ID: 1518232
CIF file Formula: - C48 H30 F6 O4 -
Comments: Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties Chem. Sci. 6(2) (2015) 1139
Space group: C 1 2/c 1
Cell volume: 3961.57
Cell parameters: 13.07527; 16.18867; 19.01027; 90; 100.1; 90;  

COD ID: 1518233
CIF file Formula: - C47 H28 Cl2 F6 O2 -
Comments: Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties Chem. Sci. 6(2) (2015) 1139
Space group: P -1
Cell volume: 1967.5
Cell parameters: 12.5119; 12.6648; 14.9565; 70.805; 66.621; 67.665;  

COD ID: 1518234
CIF file Formula: - C49 H25 Cl3 F12 O2 -
Comments: Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties Chem. Sci. 6(2) (2015) 1139
Space group: P 1 21/c 1
Cell volume: 4476.3
Cell parameters: 12.8182; 35.815; 9.7626; 90; 92.841; 90;  

COD ID: 1518242
CIF file Formula: - C81 H86 Cl6 N6 O8 Rh2 -
Comments: Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci. 6(2) (2015) 1094
Space group: P 21 21 21
Cell volume: 7625
Cell parameters: 13.919; 19.144; 28.616; 90; 90; 90;  

COD ID: 1518243
CIF file Formula: - C39 H40 Cl2 F6 N4 O2 P Rh -
Comments: Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci. 6(2) (2015) 1094
Space group: P 21 21 21
Cell volume: 4037.8
Cell parameters: 13.1445; 13.6427; 22.5166; 90; 90; 90;  

COD ID: 1518244
CIF file Formula: - C14 H18 N2 O5 -
Comments: Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci. 6(2) (2015) 1094
Space group: P 21 21 21
Cell volume: 1456.24
Cell parameters: 5.4571; 15.3289; 17.4084; 90; 90; 90;  

COD ID: 1518245
CIF file Formula: - C22 H26 N2 O4 -
Comments: Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci. 6(2) (2015) 1094
Space group: P 1 21/c 1
Cell volume: 2036.88
Cell parameters: 10.1905; 11.5731; 17.4203; 90; 97.5045; 90;  

COD ID: 1518246
CIF file Formula: - C51 H52 Cl4 F6 N4 O3 P Rh -
Comments: Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci. 6(2) (2015) 1094
Space group: P n a 21
Cell volume: 5347.4
Cell parameters: 17.7761; 22.9437; 13.1111; 90; 90; 90;  

COD ID: 1518247
CIF file Formula: - C47 H45 Cl2 Ir N4 O3 -
Comments: Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality Chem. Sci. 6(2) (2015) 1094
Space group: C 1 2/c 1
Cell volume: 8227.1
Cell parameters: 38.9286; 13.3583; 17.0015; 90; 111.479; 90;  

COD ID: 1518248
CIF file Formula: - C98 H110 B Cl2 F20 N6 Nb2 -
Comments: Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci. 6(2) (2015) 993
Space group: P 1 21/c 1
Cell volume: 9660
Cell parameters: 14.224; 21.737; 31.247; 90; 90.83; 90;  

COD ID: 1518249
CIF file Formula: - C65 H66 B F20 N3 Nb O2 -
Comments: Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci. 6(2) (2015) 993
Space group: P 1 21/c 1
Cell volume: 6132.4
Cell parameters: 18.1669; 17.1279; 19.7092; 90; 90.559; 90;  

COD ID: 1518250
CIF file Formula: - C95 H110 B Cl9 F20 N6 Nb2 -
Comments: Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci. 6(2) (2015) 993
Space group: P 1 21/c 1
Cell volume: 9827.8
Cell parameters: 20.744; 20.888; 22.683; 90; 90.709; 90;  

COD ID: 1518251
CIF file Formula: - C61 H60 B Cl0 F20 N4 Nb -
Comments: Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci. 6(2) (2015) 993
Space group: P 1 n 1
Cell volume: 6547
Cell parameters: 15.2666; 16.9177; 25.577; 90; 97.658; 90;  

COD ID: 1518252
CIF file Formula: - C24 H28 B2 Cl6 Fe N8 O6 -
Comments: Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci. 6(2) (2015) 1004
Space group: C 1 2/c 1
Cell volume: 3505.8
Cell parameters: 24.287; 8.1945; 20.396; 90; 120.269; 90;  

COD ID: 1518253
CIF file Formula: - C31 H44 B2 Fe N8 O9 -
Comments: Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci. 6(2) (2015) 1004
Space group: P -1
Cell volume: 1759.4
Cell parameters: 10.435; 12.522; 14.568; 110.05; 98.25; 92.93;  

COD ID: 1518254
CIF file Formula: - C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6 -
Comments: Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci. 6(2) (2015) 1004
Space group: F 4 3 2
Cell volume: 459764
Cell parameters: 77.1812; 77.1812; 77.1812; 90; 90; 90;  

COD ID: 1518255
CIF file Formula: - C193 H230 B12 Fe6 N59 O53 Pd3 -
Comments: Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci. 6(2) (2015) 1004
Space group: P -1
Cell volume: 12790
Cell parameters: 24.07; 25.09; 26.26; 111.25; 101.84; 110.6;  

COD ID: 1518256
CIF file Formula: - C453.5 H476.75 B33.75 F9 Fe12 N100.75 O83.5 Pd6 -
Comments: Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci. 6(2) (2015) 1004
Space group: P -1
Cell volume: 61382
Cell parameters: 37.76; 37.914; 49.64; 109.87; 111.57; 90.72;  

COD ID: 1518257
CIF file Formula: - C350 H400 B24 Fe12 N105 O99 Pd6 -
Comments: Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci. 6(2) (2015) 1004
Space group: P -1
Cell volume: 37375
Cell parameters: 26.3697; 37.7311; 41.401; 113.826; 96.68; 90.021;  

COD ID: 1518278
CIF file Formula: - C20 H20 N2 O3 S -
Comments: Zhou, Ai-Hua; He, Qiao; Shu, Chao; Yu, Yong-Fei; Liu, Shuang; Zhao, Tian; Zhang, Wei; Lu, Xin; Ye, Long-Wu Atom-economic generation of gold carbenes: gold-catalyzed formal [3+2] cycloaddition between ynamides and isoxazoles Chem. Sci. 6(2) (2015) 1265
Space group: C 1 2/c 1
Cell volume: 3732.5
Cell parameters: 11.5572; 15.5085; 20.8957; 90; 94.733; 90;  

COD ID: 1518279
CIF file Formula: - C24 H20 N2 O2 -
Comments: Hesping, Lena; Biswas, Anup; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Studer, Armido Stereoselective Lewis base catalyzed formal 1,3-dipolar cycloaddition of azomethine imines with mixed anhydrides Chem. Sci. 6(2) (2015) 1252
Space group: P 21 21 21
Cell volume: 1855.95
Cell parameters: 7.58; 13.2149; 18.5282; 90; 90; 90;  

COD ID: 1518308
CIF file Formula: - C90 H64 F24 N14 P4 Ru2 -
Comments: Cui, Bin-Bin; Mao, Zupan; Chen, Yuxia; Zhong, Yu-Wu; Yu, Gui; Zhan, Chuanlang; Yao, Jiannian Tuning of resistive memory switching in electropolymerized metallopolymeric films Chem. Sci. 6(2) (2015) 1308
Space group: P -1
Cell volume: 4949
Cell parameters: 13.811; 18.252; 20.803; 84.81; 82.76; 72.33;  

COD ID: 1518338
CIF file Formula: - C36 H54 F18 N15 P3 Ru3 S9 -
Comments: Zubi, Ahmed; Wragg, Ashley; Turega, Simon; Adams, Harry; Costa, Paulo J.; Félix, Vítor; Thomas, Jim A. Modulating the electron-transfer properties of a mixed-valence system through host‒guest chemistry Chem. Sci. 6(2) (2015) 1334
Space group: C 1 2 1
Cell volume: 6053.6
Cell parameters: 27.5079; 16.0629; 14.4082; 90; 108.033; 90;  

COD ID: 1518339
CIF file Formula: - C15 H12 Au N O2 -
Comments: Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds Chem. Sci. 6(2) (2015) 1491
Space group: P -1
Cell volume: 1320.8
Cell parameters: 7.3807; 11.755; 15.94; 102.912; 92.025; 100.595;  

COD ID: 1518340
CIF file Formula: - C15 H12 Au N O2 -
Comments: Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds Chem. Sci. 6(2) (2015) 1491
Space group: P -1
Cell volume: 673.93
Cell parameters: 6.0552; 7.0297; 15.9689; 96.315; 93.979; 90.279;  

COD ID: 1518342
CIF file Formula: - C33 H27 Br N2 O4 -
Comments: Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci. 6(2) (2015) 1350
Space group: P 1 21 1
Cell volume: 2662.23
Cell parameters: 9.7143; 22.5934; 12.6641; 90; 106.703; 90;  

COD ID: 1518343
CIF file Formula: - C33 H28 N2 O4 -
Comments: Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci. 6(2) (2015) 1350
Space group: P 21 21 21
Cell volume: 2599.46
Cell parameters: 12.1648; 12.4912; 17.107; 90; 90; 90;  

COD ID: 1518344
CIF file Formula: - C24 H26 N2 O5 -
Comments: Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci. 6(2) (2015) 1350
Space group: P 1
Cell volume: 1047.35
Cell parameters: 6.25441; 12.592; 13.61853; 100.755; 92.7028; 95.0674;  

COD ID: 1518345
CIF file Formula: - C22 H22 N2 O5 -
Comments: Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S. Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions Chem. Sci. 6(2) (2015) 1350
Space group: P 1 21 1
Cell volume: 941.82
Cell parameters: 12.14306; 6.28576; 13.0165; 90; 108.566; 90;  

COD ID: 1518346
CIF file Formula: - C8 H4 Cr2 O8 P2 -
Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379
Space group: C m c a
Cell volume: 1381.06
Cell parameters: 12.2545; 11.5949; 9.7196; 90; 90; 90;  

COD ID: 1518347
CIF file Formula: - C8 H4 O8 P2 W2 -
Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379
Space group: C m c a
Cell volume: 1523.3
Cell parameters: 12.4977; 12.0462; 10.1185; 90; 90; 90;  

COD ID: 1518348
CIF file Formula: - C7 H7 Cr2 O7 P3 -
Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379
Space group: P -1
Cell volume: 362.43
Cell parameters: 6.9134; 7.3239; 8.761; 111.796; 92.15; 115.204;  

COD ID: 1518352
CIF file Formula: - C3 H3 Cl Cu N3 S3 -
Comments: Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci. 6(2) (2015) 1465
Space group: P a -3
Cell volume: 1601.9
Cell parameters: 11.70071; 11.70071; 11.70071; 90; 90; 90;  

COD ID: 1518353
CIF file Formula: - C3 H3 Cl Cu N3 S3 -
Comments: Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci. 6(2) (2015) 1465
Space group: P a -3
Cell volume: 1621.05
Cell parameters: 11.74713; 11.74713; 11.74713; 90; 90; 90;  

COD ID: 1518354
CIF file Formula: - C3 H3 Cl Cu N3 S3 -
Comments: Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci. 6(2) (2015) 1465
Space group: P a -3
Cell volume: 1638.2
Cell parameters: 11.78842; 11.78842; 11.78842; 90; 90; 90;  

COD ID: 1518355
CIF file Formula: - C32 H44 K N2 O13 Rh -
Comments: Murphy, Stephen K.; Bruch, Achim; Dong, Vy M. Mechanistic insights into hydroacylation with non-chelating aldehydes Chemical Science 6(1) (2015) 174-180
Space group: C 1 c 1
Cell volume: 3686.2
Cell parameters: 13.6052; 19.6523; 14.3113; 90; 105.559; 90;  

COD ID: 1518358
CIF file Formula: - C18 H32 N4 Pd -
Comments: Hering, Florian; Nitsch, Jörn; Paul, Ursula; Steffen, Andreas; Bickelhaupt, F. Matthias; Radius, Udo Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands Chem. Sci. 6(2) (2015) 1426
Space group: P 1 21/c 1
Cell volume: 1012.98
Cell parameters: 9.5147; 8.7236; 12.2763; 90; 96.21; 90;  

COD ID: 1518359
CIF file Formula: - C28 H50 Cl4 N6 Pd -
Comments: Hering, Florian; Nitsch, Jörn; Paul, Ursula; Steffen, Andreas; Bickelhaupt, F. Matthias; Radius, Udo Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands Chem. Sci. 6(2) (2015) 1426
Space group: P -1
Cell volume: 1731.26
Cell parameters: 9.5437; 12.6519; 14.7569; 81.229; 83.044; 81.137;  

COD ID: 1518360
CIF file Formula: - C145 H149 Cl6 Cs3 N8 O14 -
Comments: Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci. 6(2) (2015) 1404
Space group: P -1
Cell volume: 3366.6
Cell parameters: 11.649; 18.299; 18.362; 60.833; 80.132; 86.221;  

COD ID: 1518361
CIF file Formula: - C74 H78 Cl6 Cs F N4 O8 -
Comments: Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci. 6(2) (2015) 1404
Space group: P -1
Cell volume: 3521.7
Cell parameters: 12.5824; 16.3849; 18.0859; 89.08; 89.123; 70.854;  

COD ID: 1518362
CIF file Formula: - C82 H92 N4 O12 -
Comments: Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci. 6(2) (2015) 1404
Space group: P -1
Cell volume: 7602
Cell parameters: 16.284; 21.681; 24.254; 65.823; 87.933; 77.172;  

COD ID: 1518363
CIF file Formula: - C75 H71 Cl3 N4 O12 -
Comments: Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci. 6(2) (2015) 1404
Space group: P 1 21/c 1
Cell volume: 6532
Cell parameters: 18.865; 17.828; 20.315; 90; 107.064; 90;  

COD ID: 1518364
CIF file Formula: - C81 H94 Cl6 F N5 O6 -
Comments: Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci. 6(2) (2015) 1404
Space group: P 1 21/n 1
Cell volume: 7577
Cell parameters: 18.1082; 20.262; 21.408; 90; 105.284; 90;  

COD ID: 1518365
CIF file Formula: - C78 H81 N7 O6 -
Comments: Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci. 6(2) (2015) 1404
Space group: P 1 21/n 1
Cell volume: 6844.6
Cell parameters: 19.8344; 17.7442; 20.5845; 90; 109.128; 90;  

COD ID: 1518366
CIF file Formula: - C74 H77 Cl4 Cs N4 O7 -
Comments: Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci. 6(2) (2015) 1404
Space group: P 1 2/n 1
Cell volume: 14087.7
Cell parameters: 28.4416; 17.3237; 28.5922; 90; 90.135; 90;  

COD ID: 1518367
CIF file Formula: - C74 H77 Cl3 Cs F N4 O7 -
Comments: Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci. 6(2) (2015) 1404
Space group: P 1 21/n 1
Cell volume: 6909
Cell parameters: 17.1643; 20.272; 20.1109; 90; 99.129; 90;  

COD ID: 1518368
CIF file Formula: - C163 H193 Cl6 F2 N10 O15 -
Comments: Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci. 6(2) (2015) 1404
Space group: P -1
Cell volume: 8315.5
Cell parameters: 17.7069; 19.2391; 27.8205; 71.903; 75.381; 69.249;  

COD ID: 1518371
CIF file Formula: - C279.28 H164 N37 O100 -
Comments: Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul Solid state organic amine detection in a photochromic porous metal organic framework Chem. Sci. 6(2) (2015) 1420
Space group: C 1 2/c 1
Cell volume: 7205.1
Cell parameters: 33.067; 14.8252; 17.1809; 90; 121.19; 90;  

COD ID: 1518372
CIF file Formula: - C69 H35 Mg4 N7 O30 -
Comments: Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul Solid state organic amine detection in a photochromic porous metal organic framework Chem. Sci. 6(2) (2015) 1420
Space group: P 1 2/c 1
Cell volume: 6082.6
Cell parameters: 34.3413; 10.0447; 17.7382; 90; 96.234; 90;  

COD ID: 1518407
CIF file Formula: - C74 H86 N6 O3 -
Comments: Slater, Anna G.; Hu, Ya; Yang, Lixu; Argent, Stephen P.; Lewis, William; Blunt, Matthew O.; Champness, Neil R. Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly Chem. Sci. 6(2) (2015) 1562
Space group: P -1
Cell volume: 3335.2
Cell parameters: 9.827; 16.9659; 21.6298; 69.273; 81.505; 87.976;  

COD ID: 1518408
CIF file Formula: - C86 H92 Cl18 N6 O3 -
Comments: Slater, Anna G.; Hu, Ya; Yang, Lixu; Argent, Stephen P.; Lewis, William; Blunt, Matthew O.; Champness, Neil R. Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly Chem. Sci. 6(2) (2015) 1562
Space group: P -1
Cell volume: 4426
Cell parameters: 15.4721; 16.3717; 19.0278; 92.068; 110.731; 99.28;  

COD ID: 1518409
CIF file Formula: - C28 H20 N2 -
Comments: Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission Chem. Sci. 6(3) (2015) 1932
Space group: P 21 21 21
Cell volume: 2025.6
Cell parameters: 5.9763; 11.5786; 29.273; 90; 90; 90;  

COD ID: 1518410
CIF file Formula: - C40 H28 N2 -
Comments: Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission Chem. Sci. 6(3) (2015) 1932
Space group: P -1
Cell volume: 1463.4
Cell parameters: 10.6571; 11.1264; 13.1685; 88; 76.566; 74.575;  

COD ID: 1518411
CIF file Formula: - C42 H32 N2 O2 -
Comments: Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission Chem. Sci. 6(3) (2015) 1932
Space group: P -1
Cell volume: 1589.02
Cell parameters: 11.1806; 11.4458; 12.861; 101.527; 91.283; 99.274;  

COD ID: 1518412
CIF file Formula: - C32 H28 N2 O4 -
Comments: Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission Chem. Sci. 6(3) (2015) 1932
Space group: P -1
Cell volume: 1308.1
Cell parameters: 9.768; 12.3063; 12.4687; 68.542; 70.492; 88.089;  

COD ID: 1518432
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 755.9
Cell parameters: 10.336; 14.852; 4.924; 90; 90; 90;  

COD ID: 1518433
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 733.3
Cell parameters: 10.26; 14.837; 4.8169; 90; 90; 90;  

COD ID: 1518434
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 722.9
Cell parameters: 10.22; 14.832; 4.7689; 90; 90; 90;  

COD ID: 1518435
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 718.5
Cell parameters: 10.218; 14.823; 4.7439; 90; 90; 90;  

COD ID: 1518436
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 707.5
Cell parameters: 10.181; 14.808; 4.693; 90; 90; 90;  

COD ID: 1518437
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 685.7
Cell parameters: 10.11; 14.808; 4.5801; 90; 90; 90;  

COD ID: 1518438
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 675.4
Cell parameters: 10.06; 14.798; 4.537; 90; 90; 90;  

COD ID: 1518439
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 657.8
Cell parameters: 10.05; 14.807; 4.4206; 90; 90; 90;  

COD ID: 1518440
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 651.8
Cell parameters: 10.04; 14.796; 4.3879; 90; 90; 90;  

COD ID: 1518441
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 635.3
Cell parameters: 10.056; 14.779; 4.275; 90; 90; 90;  

COD ID: 1518442
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 633.3
Cell parameters: 10.059; 14.776; 4.261; 90; 90; 90;  

COD ID: 1518443
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 633.3
Cell parameters: 10.063; 14.787; 4.256; 90; 90; 90;  

COD ID: 1518444
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 621
Cell parameters: 9.714; 14.99; 4.262; 90; 90; 90;  

COD ID: 1518445
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 617.4
Cell parameters: 9.73; 14.987; 4.234; 90; 90; 90;  

COD ID: 1518446
CIF file Formula: - C6 H12 O6 -
Comments: Patyk, Ewa; Katrusiak, Andrzej Transformable H-bonds and conformation in compressed glucose Chem. Sci. 6(3) (2015) 1991
Space group: P 21 21 21
Cell volume: 611.3
Cell parameters: 9.694; 14.931; 4.2234; 90; 90; 90;  

COD ID: 1518447
CIF file Formula: - C67 F6 -
Comments: San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H. M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; Boltalina, Olga V.; Strauss, Steven H. A faux hawk fullerene with PCBM-like properties Chem. Sci. 6(3) (2015) 1801
Space group: P b c a
Cell volume: 6475.1
Cell parameters: 9.9998; 20.6538; 31.3512; 90; 90; 90;  

COD ID: 1518448
CIF file Formula: - C60 H60 Li4 O5 Rb4 -
Comments: Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A. Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts Chem. Sci. 6(3) (2015) 1959
Space group: C m c m
Cell volume: 4960
Cell parameters: 14.166; 13.519; 25.901; 90; 90; 90;  

COD ID: 1518449
CIF file Formula: - C66 H80 Li3 O12.5 Rb5 -
Comments: Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A. Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts Chem. Sci. 6(3) (2015) 1959
Space group: P -1
Cell volume: 3384.9
Cell parameters: 10.064; 15.27; 22.129; 90.416; 93.102; 94.532;  

COD ID: 1518450
CIF file Formula: - C28 H46 N4 O19 Tm -
Comments: Funk, Alexander M.; Finney, Katie-Louise N. A.; Harvey, Peter; Kenwright, Alan M.; Neil, Emily R.; Rogers, Nicola J.; Kanthi Senanayake, P.; Parker, David Critical analysis of the limitations of Bleaney's theory of magnetic anisotropy in paramagnetic lanthanide coordination complexes Chem. Sci. 6(3) (2015) 1655
Space group: C 1 c 1
Cell volume: 3317.3
Cell parameters: 23.1686; 9.677; 16.8001; 90; 118.272; 90;  

COD ID: 1518469
CIF file Formula: - C21 H10 Au B Cl10 N6 Pb -
Comments: Echeverría, Raquel; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena The gold(i)⋯lead(ii) interaction: a relativistic connection Chem. Sci. 6(3) (2015) 2022
Space group: P -1
Cell volume: 1477.17
Cell parameters: 8.5794; 13.7444; 13.7913; 110.805; 93.371; 101.13;  

COD ID: 1518476
CIF file Formula: - C14 H23 F6 O6 Pd Sb -
Comments: Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci. 6(4) (2015) 2172
Space group: P -1
Cell volume: 992.6
Cell parameters: 9.539; 10.408; 11.253; 115.767; 97.422; 91.945;  

COD ID: 1518477
CIF file Formula: - C15 H22 F6 N O6 Pd Sb -
Comments: Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci. 6(4) (2015) 2172
Space group: P n m a
Cell volume: 4189
Cell parameters: 18.89; 16.805; 13.196; 90; 90; 90;  

COD ID: 1518478
CIF file Formula: - C22 H35 F6 O6 Pd Sb -
Comments: Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci. 6(4) (2015) 2172
Space group: P n a 21
Cell volume: 2699.3
Cell parameters: 16.758; 16.947; 9.5046; 90; 90; 90;  

COD ID: 1518479
CIF file Formula: - C17 H28 F6 N3 O10 Pd Sb -
Comments: Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci. 6(4) (2015) 2172
Space group: P 1 21/c 1
Cell volume: 2762.3
Cell parameters: 10.0271; 19.0026; 14.5138; 90; 92.747; 90;  

COD ID: 1518480
CIF file Formula: - C66 H86 Cl20 F24 O16 Pd4 Sb4 -
Comments: Commarieu, Basile; Claverie, Jerome P. Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism Chem. Sci. 6(4) (2015) 2172
Space group: P -1
Cell volume: 5930.9
Cell parameters: 16.4284; 19.3745; 21.4447; 66.181; 88.434; 72.775;  

COD ID: 1518496
CIF file Formula: - C34 H58 As4 Co2 -
Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379
Space group: P 1 21/n 1
Cell volume: 1832.24
Cell parameters: 8.4386; 13.7676; 16.0276; 90; 100.27; 90;  

COD ID: 1518497
CIF file Formula: - C35 H60 As4 Cl2 Co2 -
Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379
Space group: C 1 2/c 1
Cell volume: 3945.5
Cell parameters: 17.893; 19.9249; 11.6299; 90; 107.903; 90;  

COD ID: 1518498
CIF file Formula: - C68 H116 As10 Co4 -
Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379
Space group: P -1
Cell volume: 1904.35
Cell parameters: 10.3921; 14.3707; 14.8262; 62.53; 76.535; 79.819;  

COD ID: 1518499
CIF file Formula: - C72 H124 As10 Cl8 Co4 -
Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379
Space group: P -1
Cell volume: 2254
Cell parameters: 13.7956; 14.0892; 15.0382; 62.971; 69.895; 61.292;  

COD ID: 1518500
CIF file Formula: - C51 H87 As12 Co3 -
Comments: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M. Synthesis of arsenic-rich Asnligand complexes from yellow arsenic Chem. Sci. 6(2) (2015) 1379
Space group: C 1 2/c 1
Cell volume: 12607.1
Cell parameters: 28.9202; 15.7899; 29.9375; 90; 112.752; 90;  

COD ID: 1518501
CIF file Formula: - C23 H32 N2 Se -
Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895
Space group: P n a 21
Cell volume: 1920.6
Cell parameters: 23.3; 7.0807; 11.6415; 90; 90; 90;  

COD ID: 1518502
CIF file Formula: - C15 H24 N2 Se -
Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895
Space group: P 1 21/c 1
Cell volume: 1527
Cell parameters: 11.8147; 11.1443; 12.2088; 90; 108.21; 90;  

COD ID: 1518503
CIF file Formula: - C27 H48 N2 Se -
Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895
Space group: P 1 21/n 1
Cell volume: 2647.2
Cell parameters: 14.4058; 7.4133; 25.023; 90; 97.856; 90;  

COD ID: 1518504
CIF file Formula: - C19 H20 N2 Se -
Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895
Space group: P 1 2/n 1
Cell volume: 834.42
Cell parameters: 8.3318; 7.4265; 13.6459; 90; 98.798; 90;  

COD ID: 1518505
CIF file Formula: - C21 H24 N2 Se -
Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895
Space group: P b c n
Cell volume: 1904.4
Cell parameters: 16.043; 7.3937; 16.055; 90; 90; 90;  

COD ID: 1518506
CIF file Formula: - C35 H52 N2 Se -
Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895
Space group: P 1 21/c 1
Cell volume: 3221.8
Cell parameters: 20.433; 7.6327; 21.563; 90; 106.66; 90;  

COD ID: 1518507
CIF file Formula: - C27 H34 Cl2 N2 Se -
Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895
Space group: I 1 2/a 1
Cell volume: 3305
Cell parameters: 17.366; 9.4565; 21.295; 90; 109.08; 90;  

COD ID: 1518508
CIF file Formula: - C21 H26 N2 Se -
Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895
Space group: P b c n
Cell volume: 1918.2
Cell parameters: 15.9194; 7.4418; 16.1915; 90; 90; 90;  

COD ID: 1518509
CIF file Formula: - C11 H6 F5 N3 Se -
Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895
Space group: P 1 21/c 1
Cell volume: 1215.7
Cell parameters: 9.3746; 15.527; 8.3524; 90; 90.357; 90;  

COD ID: 1518510
CIF file Formula: - C11 H11 N3 O Se -
Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895
Space group: P -1
Cell volume: 1136.6
Cell parameters: 7.8283; 7.9731; 18.447; 97.93; 94.637; 90.042;  

COD ID: 1518511
CIF file Formula: - C21 H21 N3 O Se -
Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895
Space group: P -1
Cell volume: 906.2
Cell parameters: 8.5326; 10.637; 11.589; 107.558; 101.546; 107.498;  

COD ID: 1518512
CIF file Formula: - C30 H35 N3 O Se Si -
Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895
Space group: P b c a
Cell volume: 5537.6
Cell parameters: 13.2692; 19.8926; 20.979; 90; 90; 90;  

COD ID: 1518526
CIF file Formula: - C12 H11 N O2 -
Comments: Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S. Increased carrier mobility in end-functionalized oligosilanes Chem. Sci. 6(3) (2015) 1905
Space group: P -1
Cell volume: 510.62
Cell parameters: 4.00444; 11.1381; 12.202; 71.955; 89.514; 80.992;  

COD ID: 1518527
CIF file Formula: - C38 H48 N2 O4 -
Comments: Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S. Increased carrier mobility in end-functionalized oligosilanes Chem. Sci. 6(3) (2015) 1905
Space group: P 1 21/c 1
Cell volume: 3324.49
Cell parameters: 14.93217; 14.22602; 15.93712; 90; 100.89; 90;  

COD ID: 1518528
CIF file Formula: - C30 H40 N2 O4 Si4 -
Comments: Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S. Increased carrier mobility in end-functionalized oligosilanes Chem. Sci. 6(3) (2015) 1905
Space group: P -1
Cell volume: 1700.67
Cell parameters: 8.5558; 11.887; 17.0071; 99.115; 92.129; 94.397;  

COD ID: 1518529
CIF file Formula: - C34 H52 N2 O4 Si6 -
Comments: Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S. Increased carrier mobility in end-functionalized oligosilanes Chem. Sci. 6(3) (2015) 1905
Space group: P -1
Cell volume: 2068.9
Cell parameters: 8.6514; 11.8373; 20.4256; 82.751; 87.339; 86.175;  

COD ID: 1518530
CIF file Formula: - C152.05 H75.74 Cl2.21 F40 N12 S8 -
Comments: Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro 5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents Chem. Sci. 6(3) (2015) 1696
Space group: P -1
Cell volume: 6917.2
Cell parameters: 18.9073; 20.7452; 21.091; 67.38; 77.21; 65.257;  

COD ID: 1518531
CIF file Formula: - C87.05 H40.13 Cl3.96 F20 N6 S6 -
Comments: Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro 5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents Chem. Sci. 6(3) (2015) 1696
Space group: C 1 2/c 1
Cell volume: 16338
Cell parameters: 49.998; 12.402; 35.242; 90; 131.613; 90;  

COD ID: 1518532
CIF file Formula: - C95.3 H48 Cl2.3 F20 N6 O0.5 S8 -
Comments: Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro 5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents Chem. Sci. 6(3) (2015) 1696
Space group: P -1
Cell volume: 8989
Cell parameters: 17.2734; 18.9028; 30.1289; 105; 92.92; 107.23;  

COD ID: 1518536
CIF file Formula: - C18 H11 F6 N O3 -
Comments: Lu, Yi; Wang, Huai-Wei; Spangler, Jillian E.; Chen, Kai; Cui, Pei-Pei; Zhao, Yue; Sun, Wei-Yin; Yu, Jin-Quan Rh(iii)-catalyzed C‒H olefination of N-pentafluoroaryl benzamides using air as the sole oxidant Chem. Sci. 6(3) (2015) 1923
Space group: C 1 2/c 1
Cell volume: 3382
Cell parameters: 32.403; 6.8959; 15.25; 90; 97.03; 90;  

COD ID: 1518540
CIF file Formula: - C18 H33 N2 O8 S2 -
Comments: Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci. 6(3) (2015) 2079
Space group: P -1
Cell volume: 1097.43
Cell parameters: 7.8956; 9.6557; 14.916; 77.311; 81.835; 86.214;  

COD ID: 1518541
CIF file Formula: - C36 H66 N4 O16 S4 -
Comments: Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci. 6(3) (2015) 2079
Space group: I 1 2/c 1
Cell volume: 4427.61
Cell parameters: 19.4827; 7.7013; 30.1416; 90; 101.758; 90;  

COD ID: 1518542
CIF file Formula: - C28.7552 H49.5104 N8 O14 S4 -
Comments: Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci. 6(3) (2015) 2079
Space group: P -1
Cell volume: 962.76
Cell parameters: 9.7673; 9.8143; 10.2046; 94.88; 96.822; 95.184;  

COD ID: 1518545
CIF file Formula: - C14 H34 Cl Mo P3 -
Comments: Neary, Michelle C.; Parkin, Gerard Dehydrogenation, disproportionation and transfer hydrogenation reactions of formic acid catalyzed by molybdenum hydride compounds Chem. Sci. 6(3) (2015) 1859
Space group: P 21 21 21
Cell volume: 2002.7
Cell parameters: 11.8282; 12.449; 13.6005; 90; 90; 90;  

COD ID: 1518548
CIF file Formula: - C44.71 H22.16 Cl4 F14 N6 Na2 O7.22 -
Comments: Seifert, Sabine; Schmidt, David; Würthner, Frank An ambient stable core-substituted perylene bisimide dianion: isolation and single crystal structure analysis Chem. Sci. 6(3) (2015) 1663
Space group: P -1
Cell volume: 4812.8
Cell parameters: 14.6741; 15.8676; 24.1918; 91.946; 106.327; 115.228;  

COD ID: 1518587
CIF file Formula: - C56 H92 Cl2 Co2 I2 N4 P4 Ti2 -
Comments: Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes Chem. Sci. 6(3) (2015) 2044
Space group: P b c a
Cell volume: 6717.3
Cell parameters: 18.6991; 16.4217; 21.8753; 90; 90; 90;  

COD ID: 1518588
CIF file Formula: - C31 H55 Cl Co N2 P3 Ti -
Comments: Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes Chem. Sci. 6(3) (2015) 2044
Space group: P 1 21/n 1
Cell volume: 3652.3
Cell parameters: 9.0138; 18.8395; 21.5085; 90; 90.54; 90;  

COD ID: 1518589
CIF file Formula: - C68 H104 Co2 I2 N4 O2 P4 Ti2 -
Comments: Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes Chem. Sci. 6(3) (2015) 2044
Space group: P -1
Cell volume: 1835.07
Cell parameters: 12.5912; 13.4571; 13.5956; 110.682; 94.623; 117.15;  

COD ID: 1518590
CIF file Formula: - C24 H16 Au2 F8 N4 O2 -
Comments: Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence Chem. Sci. 6(4) (2015) 2187
Space group: P -1
Cell volume: 667.23
Cell parameters: 3.5452; 14.0087; 14.249; 109.292; 91.673; 91.322;  

COD ID: 1518591
CIF file Formula: - C18 H4 Au2 F8 N4 -
Comments: Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence Chem. Sci. 6(4) (2015) 2187
Space group: P -1
Cell volume: 489.99
Cell parameters: 3.5707; 10.3087; 14.2742; 107.689; 92.505; 100.205;  

COD ID: 1518592
CIF file Formula: - C18 H4 Au2 F8 N4 -
Comments: Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence Chem. Sci. 6(4) (2015) 2187
Space group: P 1 21/c 1
Cell volume: 957.35
Cell parameters: 7.79058; 18.7202; 6.74157; 90; 103.167; 90;  

COD ID: 1518593
CIF file Formula: - C30 H51 Ir P2 -
Comments: Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F. Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex Chem. Sci. 6(3) (2015) 2060
Space group: P -1
Cell volume: 3027.6
Cell parameters: 10.264; 16.311; 19.425; 103.753; 105.008; 93.129;  

COD ID: 1518594
CIF file Formula: - C31 H55 Ir O P2 -
Comments: Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F. Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex Chem. Sci. 6(3) (2015) 2060
Space group: P 1 21/c 1
Cell volume: 3137.41
Cell parameters: 17.003; 20.0591; 9.4403; 90; 102.986; 90;  

COD ID: 1518595
CIF file Formula: - C24 H46 Cl Ir P2 -
Comments: Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F. Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex Chem. Sci. 6(3) (2015) 2060
Space group: P 1 21/c 1
Cell volume: 2689.4
Cell parameters: 11.4108; 13.6574; 17.7933; 90; 104.097; 90;  

COD ID: 1518596
CIF file Formula: - C34 H26 F4 P2 -
Comments: Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci. 6(3) (2015) 2016
Space group: P 1 21/n 1
Cell volume: 2665.6
Cell parameters: 9.2062; 16.7452; 17.6319; 90; 101.286; 90;  

COD ID: 1518597
CIF file Formula: - C25 H22 F4 P2 -
Comments: Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci. 6(3) (2015) 2016
Space group: C 1 2 1
Cell volume: 1098.76
Cell parameters: 21.0973; 8.3882; 6.3567; 90; 102.383; 90;  

COD ID: 1518598
CIF file Formula: - C58 H26 B F21 P2 -
Comments: Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci. 6(3) (2015) 2016
Space group: P 1 21 1
Cell volume: 2447.2
Cell parameters: 8.4256; 21.123; 13.804; 90; 95.055; 90;  

COD ID: 1518599
CIF file Formula: - C59.25 H28.5 B Cl2.5 F23 P2 -
Comments: Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci. 6(3) (2015) 2016
Space group: P 1 21/c 1
Cell volume: 5597.6
Cell parameters: 18.8002; 17.1372; 17.8001; 90; 102.564; 90;  

COD ID: 1518609
CIF file Formula: - C35 H28 F6 N3 P S2 Se4 -
Comments: Bedics, Matthew A.; Kearns, Hayleigh; Cox, Jordan M.; Mabbott, Sam; Ali, Fatima; Shand, Neil C.; Faulds, Karen; Benedict, Jason B.; Graham, Duncan; Detty, Michael R. Extreme red shifted SERS nanotags Chem. Sci. 6(4) (2015) 2302
Space group: P 1 21/n 1
Cell volume: 3752.3
Cell parameters: 19.6176; 7.5992; 25.2231; 90; 93.7263; 90;  

COD ID: 1518610
CIF file Formula: - C20 H14 -
Comments: Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank C‒H arylation of triphenylene, naphthalene and related arenes using Pd/C Chem. Sci. 6(3) (2015) 1816
Space group: P -1
Cell volume: 1359
Cell parameters: 9.6321; 11.0943; 14.7022; 67.862; 79.883; 69.219;  

COD ID: 1518611
CIF file Formula: - C24 H16 -
Comments: Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank C‒H arylation of triphenylene, naphthalene and related arenes using Pd/C Chem. Sci. 6(3) (2015) 1816
Space group: P 1 21/c 1
Cell volume: 3104.2
Cell parameters: 19.1157; 5.7556; 29.6669; 90; 108.002; 90;  

COD ID: 1518661
CIF file Formula: - C64 H48 S4 -
Comments: Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci. 6(4) (2015) 2354
Space group: P 1 21/n 1
Cell volume: 2457.7
Cell parameters: 20.159; 5.0166; 25.728; 90; 109.164; 90;  

COD ID: 1518662
CIF file Formula: - C65 H50 S4 -
Comments: Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci. 6(4) (2015) 2354
Space group: P 1 21/n 1
Cell volume: 2462.2
Cell parameters: 20.1; 5.1652; 25.159; 90; 109.501; 90;  

COD ID: 1518663
CIF file Formula: - C68 H56 Cl2 S4 -
Comments: Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci. 6(4) (2015) 2354
Space group: P 1 21/c 1
Cell volume: 2706.5
Cell parameters: 7.6706; 17.4871; 20.506; 90; 100.272; 90;  

COD ID: 1518664
CIF file Formula: - C66 H52 S4 -
Comments: Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci. 6(4) (2015) 2354
Space group: P 1 21/n 1
Cell volume: 2624.8
Cell parameters: 21.43; 5.2798; 24.95; 90; 111.599; 90;  

COD ID: 1518665
CIF file Formula: - C66 H52 S4 -
Comments: Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci. 6(4) (2015) 2354
Space group: P 1 21/n 1
Cell volume: 2444.01
Cell parameters: 20.0834; 5.2324; 24.6005; 90; 109.019; 90;  

COD ID: 1518666
CIF file Formula: - C8 H16 F7 O6 P2 S2 Sb -
Comments: Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci. 6(4) (2015) 2559
Space group: P 1 21/n 1
Cell volume: 1920.41
Cell parameters: 14.5029; 8.9034; 14.9927; 90; 97.26; 90;  

COD ID: 1518667
CIF file Formula: - C43 H71 F9 N3 O9 P3 S3 Sb4 -
Comments: Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci. 6(4) (2015) 2559
Space group: P -1
Cell volume: 3284.57
Cell parameters: 11.4789; 11.9874; 26.0864; 91.82; 97.564; 112.074;  

COD ID: 1518668
CIF file Formula: - C29 H61.5 F12 N0.5 O12 P4 S4 Sb4 -
Comments: Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci. 6(4) (2015) 2559
Space group: P 1 21/c 1
Cell volume: 11138
Cell parameters: 23.986; 21.83; 22.193; 90; 106.57; 90;  

COD ID: 1518669
CIF file Formula: - C31 H41 F6 N2 O6 S2 Sb -
Comments: Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci. 6(4) (2015) 2559
Space group: P 1 21/c 1
Cell volume: 3658.1
Cell parameters: 12.3127; 17.4575; 17.0214; 90; 91.03; 90;  

COD ID: 1518670
CIF file Formula: - C4 H9 F4 O3 P S -
Comments: Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci. 6(4) (2015) 2559
Space group: P 1 21/m 1
Cell volume: 971.83
Cell parameters: 10.2147; 8.6511; 11.0323; 90; 94.5503; 90;  

COD ID: 1518671
CIF file Formula: - C14 H30 F6 O6 P2 S2 -
Comments: Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci. 6(4) (2015) 2559
Space group: P 1 21/n 1
Cell volume: 2340.4
Cell parameters: 13.4271; 11.8532; 15.7504; 90; 110.993; 90;  

COD ID: 1518672
CIF file Formula: - C27 H24 Cl5 F6 N5 O P2 Ru -
Comments: Walden, Andrew G.; Miller, Alexander J. M. Rapid water oxidation electrocatalysis by a ruthenium complex of the tripodal ligand tris(2-pyridyl)phosphine oxide Chem. Sci. 6(4) (2015) 2405
Space group: P -1
Cell volume: 1691.09
Cell parameters: 11.1445; 12.0548; 14.8726; 67.197; 84.942; 67.025;  

COD ID: 1518676
CIF file Formula: - C17 H25 N O2 Si -
Comments: Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams Chem. Sci. 6(4) (2015) 2275
Space group: P 1 21/n 1
Cell volume: 3530.7
Cell parameters: 7.8451; 10.8055; 41.681; 90; 92.188; 90;  

COD ID: 1518677
CIF file Formula: - C19 H19 Cl2 N O S -
Comments: Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams Chem. Sci. 6(4) (2015) 2275
Space group: P 1 21/c 1
Cell volume: 1798.3
Cell parameters: 9.4678; 22.465; 8.4857; 90; 94.892; 90;  

COD ID: 1518714
CIF file Formula: - C14 H26 Cl3 N4 O P Ru -
Comments: Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G. Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action Chem. Sci. 6(4) (2015) 2449
Space group: P 1 21/n 1
Cell volume: 1922.7
Cell parameters: 6.9163; 23.66; 11.8396; 90; 97.078; 90;  

COD ID: 1518715
CIF file Formula: - C15 H23 Cl2 N4 O P Ru -
Comments: Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G. Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action Chem. Sci. 6(4) (2015) 2449
Space group: P -1
Cell volume: 1808.34
Cell parameters: 10.5379; 12.8283; 13.7451; 100.766; 97.279; 91.491;  

COD ID: 1518716
CIF file Formula: - C42 H55 Cl2 N5 O10 -
Comments: Rose, Tristan E.; Lawson, Kenneth V.; Harran, Patrick. G. Large ring-forming alkylations provide facile access to composite macrocycles Chem. Sci. 6(4) (2015) 2219
Space group: C 1 2 1
Cell volume: 4288.1
Cell parameters: 25.187; 8.1556; 21.154; 90; 99.308; 90;  

COD ID: 1518727
CIF file Formula: - C53 H53 F3 N4 O3 P2 S -
Comments: Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci. 6(4) (2015) 2506
Space group: C 1 c 1
Cell volume: 4923.42
Cell parameters: 24.05898; 12.60445; 17.26646; 90; 109.899; 90;  

COD ID: 1518728
CIF file Formula: - C67 H72 Cl Ir N4 P2 -
Comments: Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci. 6(4) (2015) 2506
Space group: P -1
Cell volume: 2814.45
Cell parameters: 11.53121; 15.09347; 16.48026; 91.4726; 100.955; 90.9436;  

COD ID: 1518729
CIF file Formula: - C54 H52 Cl Ir N4 O2 P2 -
Comments: Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci. 6(4) (2015) 2506
Space group: R -3
Cell volume: 21692.9
Cell parameters: 30.1754; 30.1754; 27.5094; 90; 90; 120;  

COD ID: 1518730
CIF file Formula: - C71.5 H80 Cl2 Ir2 N4 P2 -
Comments: Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci. 6(4) (2015) 2506
Space group: P -1
Cell volume: 3131.28
Cell parameters: 13.28816; 15.4534; 18.6095; 66.4438; 87.7181; 64.8361;  

COD ID: 1518731
CIF file Formula: - C55.5 H62 Au2 Cl3 Ir N4 P2 -
Comments: Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci. 6(4) (2015) 2506
Space group: P 1 21/c 1
Cell volume: 5299.46
Cell parameters: 12.88426; 13.46559; 30.9781; 90; 99.5872; 90;  

COD ID: 1518738
CIF file Formula: - C19.5 H18.5 As3 Cl6.5 S6 -
Comments: Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci. 6(4) (2015) 2444
Space group: P n m a
Cell volume: 3008.8
Cell parameters: 20.703; 9.885; 14.702; 90; 90; 90;  

COD ID: 1518739
CIF file Formula: - C24 H24 Cl3 S6 Sb3 -
Comments: Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci. 6(4) (2015) 2444
Space group: R -3 c :H
Cell volume: 5839.7
Cell parameters: 14.2066; 14.2066; 33.41; 90; 90; 120;  

COD ID: 1518740
CIF file Formula: - C36 H42 As3 Cl3 S6 -
Comments: Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci. 6(4) (2015) 2444
Space group: P -1
Cell volume: 2020.9
Cell parameters: 10.0055; 12.424; 16.522; 81.285; 88.456; 84.579;  

COD ID: 1518741
CIF file Formula: - C30 H42 As3 Cl3 S6 -
Comments: Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci. 6(4) (2015) 2444
Space group: R -3 :H
Cell volume: 5552.4
Cell parameters: 16.413; 16.413; 23.8; 90; 90; 120;  

COD ID: 1518742
CIF file Formula: - C24 H30 Cl3 S6 Sb3 -
Comments: Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci. 6(4) (2015) 2444
Space group: P 1 21/n 1
Cell volume: 3012.2
Cell parameters: 16.0971; 11.4604; 16.3368; 90; 91.867; 90;  

COD ID: 1518743
CIF file Formula: - C30 H42 Cl3 S6 Sb3 -
Comments: Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci. 6(4) (2015) 2444
Space group: R -3 :H
Cell volume: 5616.9
Cell parameters: 16.458; 16.458; 23.9449; 90; 90; 120;  

COD ID: 1518744
CIF file Formula: - C32 H30 N8 O5 Zn4 -
Comments: Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications Chem. Sci. 6(4) (2015) 2516
Space group: P 42/m c m
Cell volume: 3436.5
Cell parameters: 11.5382; 11.5382; 25.813; 90; 90; 90;  

COD ID: 1518745
CIF file Formula: - C34 H32 N8 O5 Zn4 -
Comments: Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications Chem. Sci. 6(4) (2015) 2516
Space group: P 42/m c m
Cell volume: 4573
Cell parameters: 11.517; 11.517; 34.474; 90; 90; 90;  

COD ID: 1518753
CIF file Formula: - C37 H31 Cu F12 N4 -
Comments: Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal‒ligand interactions Chem. Sci. 6(4) (2015) 2474
Space group: P -1
Cell volume: 1788.5
Cell parameters: 12.1667; 12.1867; 13.5954; 81.549; 77.873; 65.444;  

COD ID: 1518754
CIF file Formula: - C16 H6 F12 N2 -
Comments: Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal‒ligand interactions Chem. Sci. 6(4) (2015) 2474
Space group: I 41/a :2
Cell volume: 6623.3
Cell parameters: 36.71; 36.71; 4.9148; 90; 90; 90;  

COD ID: 1518755
CIF file Formula: - C18 H27 Au B Cl N2 O2 -
Comments: Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci. 6(5) (2015) 2893
Space group: P 1 21/n 1
Cell volume: 1967.1
Cell parameters: 11.295; 10.512; 16.9583; 90; 102.328; 90;  

COD ID: 1518756
CIF file Formula: - C53 H79 Au B Cl N4 O4 -
Comments: Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci. 6(5) (2015) 2893
Space group: P 1 21/c 1
Cell volume: 5469.4
Cell parameters: 15.396; 14.4925; 24.966; 90; 100.935; 90;  

COD ID: 1518757
CIF file Formula: - C19 H27 B F3 Li N2 O5 S -
Comments: Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci. 6(5) (2015) 2893
Space group: P -1
Cell volume: 1114.73
Cell parameters: 5.9513; 10.9562; 17.3953; 96.176; 93.242; 97.646;  

COD ID: 1518758
CIF file Formula: - C26 H39 B Cl N2 O2 Rh -
Comments: Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci. 6(5) (2015) 2893
Space group: P 1 21/c 1
Cell volume: 2627.4
Cell parameters: 16.46; 13.8072; 11.9483; 90; 104.628; 90;  

COD ID: 1518759
CIF file Formula: - C33 H47 B Cl Ir N2 O2 -
Comments: Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci. 6(5) (2015) 2893
Space group: C 1 2/c 1
Cell volume: 6197.6
Cell parameters: 35.4699; 10.667; 18.1337; 90; 115.404; 90;  

COD ID: 1518761
CIF file Formula: - C25 H23 F12 Fe2 O10 -
Comments: Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci. 6(5) (2015) 2835
Space group: P -1
Cell volume: 1625
Cell parameters: 9.507; 11.729; 16.605; 102.703; 96.771; 112.595;  

COD ID: 1518762
CIF file Formula: - C35 H25 F24 Fe3 O14 -
Comments: Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci. 6(5) (2015) 2835
Space group: P 1 21 1
Cell volume: 2407.2
Cell parameters: 9.7834; 20.8414; 12.0955; 90; 102.57; 90;  

COD ID: 1518763
CIF file Formula: - C35 H25 F24 Fe3 O14 -
Comments: Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci. 6(5) (2015) 2835
Space group: P 1 21 1
Cell volume: 2408.2
Cell parameters: 9.7979; 20.819; 12.0998; 90; 102.659; 90;  

COD ID: 1518764
CIF file Formula: - C35 H19 F30 Fe3 O14 -
Comments: Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci. 6(5) (2015) 2835
Space group: C 1 2/c 1
Cell volume: 5000
Cell parameters: 20.934; 13.481; 17.739; 90; 92.848; 90;  

COD ID: 1518765
CIF file Formula: - C25 H23 F12 Fe Mn O10 -
Comments: Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci. 6(5) (2015) 2835
Space group: P -1
Cell volume: 1618.3
Cell parameters: 9.464; 11.8255; 16.508; 102.022; 97.859; 112.682;  

COD ID: 1518766
CIF file Formula: - C35 H25 F24 Fe Ni2 O14 -
Comments: Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci. 6(5) (2015) 2835
Space group: P 1 21 1
Cell volume: 2381
Cell parameters: 9.7682; 20.7583; 12.0575; 90; 103.126; 90;  

COD ID: 1518779
CIF file Formula: - C38 H34 Cl2 Ir N P2 -
Comments: Liu, Chong; Xie, Jian-Hua; Tian, Gui-Long; Li, Wei; Zhou, Qi-Lin Highly efficient hydrogenation of carbon dioxide to formate catalyzed by iridium(iii) complexes of imine‒diphosphine ligands Chem. Sci. 6(5) (2015) 2928
Space group: I b a m
Cell volume: 13061
Cell parameters: 30.868; 17.517; 24.155; 90; 90; 90;  

COD ID: 1518780
CIF file Formula: - Ga1.67 O10 P2.5 Zn0.83 -
Comments: Wu, Junbiao; Tao, Chunyao; Li, Yi; Li, Jiyang; Yu, Jihong Methyl viologen-templated zinc gallophosphate zeolitic material with dual photo-/thermochromism and tuneable photovoltaic activity Chem. Sci. 6(5) (2015) 2922
Space group: C 1 2/m 1
Cell volume: 2612.5
Cell parameters: 16.767; 19.047; 10.248; 90; 127.038; 90;  

COD ID: 1518781
CIF file Formula: - C63 H59 B F29 Fe N3 P2 -
Comments: Darmon, Jonathan M.; Kumar, Neeraj; Hulley, Elliott B.; Weiss, Charles J.; Raugei, Simone; Bullock, R. Morris; Helm, Monte L. Increasing the rate of hydrogen oxidation without increasing the overpotential: a bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay Chem. Sci. 6(5) (2015) 2737
Space group: P -1
Cell volume: 6702.5
Cell parameters: 12.7767; 13.894; 38.0545; 90.4567; 92.9881; 96.475;  

COD ID: 1518782
CIF file Formula: - C38 H55 Co N2 O4 -
Comments: Zhao, Yaguang; Yu, Mengmeng; Zhang, Shuailin; Wu, Zhenqiang; Liu, Yuchu; Peng, Chi-How; Fu, Xuefeng A well-defined, versatile photoinitiator (salen)Co‒CO2CH3for visible light-initiated living/controlled radical polymerization Chem. Sci. 6(5) (2015) 2979
Space group: P 1 21/n 1
Cell volume: 3518.8
Cell parameters: 17.569; 10.302; 19.781; 90; 100.629; 90;  

COD ID: 1518784
CIF file Formula: - C16 H29 B I N3 -
Comments: Chauvier, Clément; Tlili, Anis; Das Neves Gomes, Christophe; Thuéry, Pierre; Cantat, Thibault Metal-free dehydrogenation of formic acid to H2and CO2using boron-based catalysts Chem. Sci. 6(5) (2015) 2938
Space group: C 1 2/c 1
Cell volume: 3546.3
Cell parameters: 17.3182; 19.7092; 12.0924; 90; 120.773; 90;  

COD ID: 1518785
CIF file Formula: - C17 H30 B N3 O4 -
Comments: Chauvier, Clément; Tlili, Anis; Das Neves Gomes, Christophe; Thuéry, Pierre; Cantat, Thibault Metal-free dehydrogenation of formic acid to H2and CO2using boron-based catalysts Chem. Sci. 6(5) (2015) 2938
Space group: P 21 21 21
Cell volume: 1878.59
Cell parameters: 7.1546; 12.8526; 20.4294; 90; 90; 90;  

COD ID: 1518786
CIF file Formula: - C23 H17 N -
Comments: Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci. 6(5) (2015) 2843
Space group: P n a 21
Cell volume: 1654.32
Cell parameters: 7.4701; 19.7919; 11.1894; 90; 90; 90;  

COD ID: 1518787
CIF file Formula: - C58 H46 F6 Ir N4 O P -
Comments: Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci. 6(5) (2015) 2843
Space group: P n a 21
Cell volume: 5118.7
Cell parameters: 13.128; 37.8916; 10.29; 90; 90; 90;  

COD ID: 1518788
CIF file Formula: - C44 H32 F6 Ir N4 P -
Comments: Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci. 6(5) (2015) 2843
Space group: P 1 21/n 1
Cell volume: 3576.1
Cell parameters: 15.0877; 13.1747; 18.093; 90; 96.094; 90;  

COD ID: 1518789
CIF file Formula: - C76 H60 F6 Ir N4 P -
Comments: Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci. 6(5) (2015) 2843
Space group: P -1
Cell volume: 2950.9
Cell parameters: 10.8073; 13.5065; 20.8777; 80.953; 86.577; 78.797;  

COD ID: 1518821
CIF file Formula: - C65 H80 Au N O -
Comments: Ming Tong, Glenna So; Chan, Kaai Tung; Chang, Xiaoyong; Che, Chi-Ming Theoretical studies on the photophysical properties of luminescent pincer gold(iii) arylacetylide complexes: the role of π-conjugation at the C-deprotonated [C^N^C] ligand Chem. Sci. 6(5) (2015) 3026
Space group: P -1
Cell volume: 2707
Cell parameters: 11.6132; 14.7425; 16.9669; 87.393; 71.112; 80.062;  

COD ID: 1518822
CIF file Formula: - C35 H34 Au B Mn O2 P -
Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989
Space group: P -1
Cell volume: 1512.8
Cell parameters: 10.071; 11.844; 13.4; 86.394; 79.387; 74.371;  

COD ID: 1518823
CIF file Formula: - C43 H40 Au B Mn O2 P -
Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989
Space group: C 1 2/c 1
Cell volume: 7269
Cell parameters: 41.848; 10.898; 15.941; 90; 91.024; 90;  

COD ID: 1518824
CIF file Formula: - C30 H29 Au B Mn N O2 P S -
Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989
Space group: P 1 21/n 1
Cell volume: 2937
Cell parameters: 13.491; 13.559; 16.412; 90; 101.959; 90;  

COD ID: 1518825
CIF file Formula: - C46 H40 Au B3 Cl8 Mn2 O4 -
Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989
Space group: P 1 21/c 1
Cell volume: 9853
Cell parameters: 18.435; 33.798; 17.288; 90; 113.832; 90;  

COD ID: 1518826
CIF file Formula: - C98 H85 Ag2 B6 Cl16 F Mn4 O8 -
Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989
Space group: P -1
Cell volume: 2516.2
Cell parameters: 12.2946; 13.8214; 16.0619; 88.083; 67.993; 83.916;  

COD ID: 1518827
CIF file Formula: - C53 H48 Ag B3 Cl8 Mn2 O4 -
Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989
Space group: P 1 21/n 1
Cell volume: 5554
Cell parameters: 11.184; 36.556; 13.609; 90; 93.434; 90;  

COD ID: 1518828
CIF file Formula: - C46 H40 Ag B3 Cl8 Mn2 O4 -
Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989
Space group: P 1 21/c 1
Cell volume: 9880
Cell parameters: 18.444; 33.901; 17.285; 90; 113.909; 90;  

COD ID: 1518829
CIF file Formula: - C53 H48 B3 Cl8 Cu Mn2 O4 -
Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989
Space group: P 1 21/n 1
Cell volume: 5488
Cell parameters: 11.0743; 36.198; 13.711; 90; 93.21; 90;  

COD ID: 1518830
CIF file Formula: - C55 H50 B3 Cl12 Cu2 Mn3 O6 -
Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989
Space group: P -1
Cell volume: 3084
Cell parameters: 11.952; 14.576; 20.573; 70.672; 73.21; 68.233;  

COD ID: 1518831
CIF file Formula: - C67 H62 B3 Cl8 Cu2 Mn3 O6 -
Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989
Space group: P -1
Cell volume: 3345.8
Cell parameters: 11.301; 14.461; 21.311; 97.172; 96.19; 102.139;  

COD ID: 1518832
CIF file Formula: - C75 H50 Au B F24 P2 -
Comments: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci. 6(5) (2015) 2989
Space group: P -1
Cell volume: 3402.1
Cell parameters: 12.38; 15.772; 18.327; 83.065; 74.699; 81.63;  

COD ID: 1518843
CIF file Formula: - C22 H23 N O3 -
Comments: Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans Chem. Sci. 6(5) (2015) 2903
Space group: P 1 21/n 1
Cell volume: 1768
Cell parameters: 6.0325; 20.594; 14.3515; 90; 97.425; 90;  

COD ID: 1518844
CIF file Formula: - C25 H27 N O3 -
Comments: Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans Chem. Sci. 6(5) (2015) 2903
Space group: P 1 21/n 1
Cell volume: 2023.27
Cell parameters: 10.6026; 12.0053; 16.5199; 90; 105.806; 90;  

COD ID: 1518845
CIF file Formula: - C24 H25 N O3 -
Comments: Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans Chem. Sci. 6(5) (2015) 2903
Space group: P 1 21/c 1
Cell volume: 1885.39
Cell parameters: 19.6584; 6.7792; 14.62; 90; 104.609; 90;  

COD ID: 1518846
CIF file Formula: - C10 H9 Br Cl N O2 -
Comments: Zhu, Cheng-Liang; Tian, Jun-Shan; Gu, Zhen-Yuan; Xing, Guo-Wen; Xu, Hao Iron(ii)-catalyzed asymmetric intramolecular olefin aminochlorination using chloride ion Chem. Sci. 6(5) (2015) 3044
Space group: P 1 21 1
Cell volume: 513.31
Cell parameters: 5.928; 7.6682; 11.3533; 90; 95.944; 90;  

COD ID: 1518866
CIF file Formula: - C11 H9 Dy N3 O6 -
Comments: Yin, Dan-Dan; Chen, Qi; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song Slow magnetic relaxation in a novel carboxylate/oxalate/hydroxyl bridged dysprosium layer Chem. Sci. 6(5) (2015) 3095
Space group: P 1 21/c 1
Cell volume: 1244.4
Cell parameters: 13.672; 7.313; 12.481; 90; 94.296; 90;  

COD ID: 1518867
CIF file Formula: - C11 H9 N3 O6 Y -
Comments: Yin, Dan-Dan; Chen, Qi; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song Slow magnetic relaxation in a novel carboxylate/oxalate/hydroxyl bridged dysprosium layer Chem. Sci. 6(5) (2015) 3095
Space group: P 1 21/c 1
Cell volume: 1231.4
Cell parameters: 13.655; 7.278; 12.428; 90; 94.424; 90;  

COD ID: 1518869
CIF file Formula: - C42 H34 N6 O10 -
Comments: Martinez-Cuezva, Alberto; Pastor, Aurelia; Cioncoloni, Giacomo; Orenes, Raul-Angel; Alajarin, Mateo; Symes, Mark D.; Berna, Jose Versatile control of the submolecular motion of di(acylamino)pyridine-based [2]rotaxanes Chem. Sci. 6(5) (2015) 3087
Space group: P -1
Cell volume: 3760
Cell parameters: 8.8838; 20.6864; 22.5136; 68.276; 78.717; 89.509;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
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.