Information card for entry 7109873

Structure parameters

• Formula: C228 H352 N96 Ni12 O42 W6
• Calculated formula: C228 H351.98 N96 Ni12 O42 W6
• 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: 33.5208 ± 0.0019 Å
• b: 33.5208 ± 0.0019 Å
• c: 24.994 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24322 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No