Information card for entry 7205747

Structure parameters

• Formula: C40 H167 N30 Ni4 O101 P V36
• Calculated formula: C40 H137 N30 Ni4 O101 P V36
• Title of publication: {[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation
• Authors of publication: Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2191
• a: 18.9721 ± 0.0007 Å
• b: 18.9721 ± 0.0007 Å
• c: 20.2105 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7274.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No