Information card for entry 7012513

Structure parameters

• Formula: C12 H64 Cl K N12 Ni3 O50 V18
• Calculated formula: C12 H40 Cl K N12 Ni3 O50 V18
• Title of publication: A two-dimensional framework of novel vanadium clusters bridged by [Ni(en)2]2+: K{V12IVV6VO42Cl[Ni(en)2]3}·8H2O
• Authors of publication: Pan, Cheng-Ling; Xu, Ji-Qing; Li, Guang-Hua; Cui, Xiao-Bing; Ye, Ling; Yang, Guang-Di
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 517
• a: 12.799 ± 0.003 Å
• b: 27.717 ± 0.006 Å
• c: 21.096 ± 0.004 Å
• α: 90°
• β: 92.68 ± 0.03°
• γ: 90°
• Cell volume: 7476 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.086
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No