Information card for entry 8103202

Structure parameters

• Formula: C30 H32 N12 Ni O6 S2
• Calculated formula: C30 H32 N12 Ni O6 S2
• Title of publication: Crystal structure of hexaimidazolenickel(II) 4,4'-biphenyldisulfonate, [Ni(C3H4N2)6][C12H8S2O6]
• Authors of publication: Ping Liu; Shihui Li; Zhen Liu; Zhiling Feng; Xiaojing Sun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 511
• a: 8.829 ± 0.003 Å
• b: 9.303 ± 0.003 Å
• c: 11.601 ± 0.004 Å
• α: 103.129 ± 0.005°
• β: 92.989 ± 0.005°
• γ: 108.096 ± 0.005°
• Cell volume: 874.3 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No