Information card for entry 2007290

Structure parameters

• Formula: C60 H70 N12 Ni2 O23 V4
• Calculated formula: C60 H48 N12 Ni2 O23 V4
• SMILES: c1cccc2c3cccc[n]3[Ni]34([n]12)([n]1ccccc1c1[n]3cccc1)[n]1ccccc1c1[n]4cccc1.[O-][V]1(=O)O[V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])O1.O.O.O.O.O.O.c1cccc2c3cccc[n]3[Ni]34([n]12)([n]1ccccc1c1[n]3cccc1)[n]1ccccc1c1[n]4cccc1.O.O.O.O.O
• Title of publication: [Ni(C~10~H~8~N~2~)~3~]~2~[V~4~O~12~].11H~2~O
• Authors of publication: Guo-Yu Yang; Da-Wei Gao; Ying Chen; Ji-Qing Xu; Qing-Xin Zeng; Hao-Ran Sun; Zhi-Wu Pei; Qiang Su; Yan Xing; Yong-Hua Ling; Heng-Qing Jia
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 616 - 618
• a: 21.88 ± 0.002 Å
• b: 13.918 ± 0.001 Å
• c: 23.829 ± 0.002 Å
• α: 90°
• β: 105.745 ± 0.001°
• γ: 90°
• Cell volume: 6984.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections: 0.1077
• Weighted residual factors for significantly intense reflections: 0.1016
• Goodness-of-fit parameter for all reflections: 0.962
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No