Information card for entry 7109874

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: 33.42 ± 0.003 Å
• b: 33.42 ± 0.003 Å
• c: 33.42 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 37327 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No