Information card for entry 7109875

Structure parameters

• Formula: C38 H44 N16 Ni2 W
• Calculated formula: C38 H44 N16 Ni2 W
• Title of publication: Water-controlled synthesis and single-crystal structural transformations of a cyanide-bridged W(IV)-Ni(II) molecular wheel complex and 3D networks
• Authors of publication: Dao-Peng Zhang; Li-Fang Zhang; Guo-Ling Li; Zhong-Hai Ni
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9582
• a: 15.031 ± 0.002 Å
• b: 30.103 ± 0.005 Å
• c: 13.367 ± 0.002 Å
• α: 90°
• β: 119.837 ± 0.003°
• γ: 90°
• Cell volume: 5246.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.229
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No