Information card for entry 4341869

Structure parameters

• Formula: C45 H134 N26 Ni17 O142 P4 W30
• Calculated formula: C45 H134 N26 Ni17 O142 P4 W30
• Title of publication: Planar {Ni6} Cluster-Containing Polyoxometalate-based Inorganic-Organic Hybrid Compound and Its Extended Structure.
• Authors of publication: Wang, Xingquan; Liu, Shuxia; Liu, Yiwei; He, Danfeng; Li, Ning; Miao, Jun; Ji, Yujuan; Yang, Guoyu
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141126095850003
• a: 28.552 ± 0.0017 Å
• b: 27.8454 ± 0.0017 Å
• c: 27.887 ± 0.002 Å
• α: 90°
• β: 120.61 ± 0.001°
• γ: 90°
• Cell volume: 19082 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0909
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No