Information card for entry 7227153

Structure parameters

• Formula: C54 H106 Cl N36 Ni3 O53 V15
• Calculated formula: C54 H72 Cl N36 Ni3 O53.0001 V15
• Title of publication: Preparation, structure and characterization of a series of vanadates
• Authors of publication: Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 265
• a: 14.989 ± 0.002 Å
• b: 14.989 ± 0.002 Å
• c: 28.467 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5538.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No