Information card for entry 4313545

Structure parameters

• Formula: C96 H110 B4 F16 N32 Ni8 O31
• Calculated formula: C96 H80 B4 F16 N32 Ni8 O31
• Title of publication: Self-Assembled Dinuclear, Trinuclear, Tetranuclear, Pentanuclear, and Octanuclear Ni(II) Complexes of a Series of Polytopic Diazine Based Ligands: Structural and Magnetic Properties
• Authors of publication: Zhiqiang Xu; Laurence K. Thompson; Victoria A. Milway; Liang Zhao; Timothy Kelly; David O. Miller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2950 - 2959
• a: 21.153 ± 0.005 Å
• b: 35.778 ± 0.009 Å
• c: 21.823 ± 0.006 Å
• α: 90°
• β: 97.757 ± 0.006°
• γ: 90°
• Cell volume: 16365 ± 7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3261
• Residual factor for significantly intense reflections: 0.1397
• Weighted residual factors for significantly intense reflections: 0.3619
• Weighted residual factors for all reflections included in the refinement: 0.4461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No