Information card for entry 8103022

Structure parameters

• Formula: C95 H104 N22 Ni4 O24
• Calculated formula: C95 H78 N22 Ni4 O24
• Title of publication: Crystal structure of tetra[(3,5-pyrazoledicarboxylic)(tripyridine)nickel(II)] - pyridine - methanol - water (1:2:5:3), [Ni(C5H2N2O4)(C5H5N)3]4 · 2C5H5N · 5CH3OH · 3H2O
• Authors of publication: Hong-Jun Bai; Fu-Gang Xin; Zeng-Lin Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 478
• a: 10.0154 ± 0.0004 Å
• b: 18.6248 ± 0.0007 Å
• c: 28.3013 ± 0.0011 Å
• α: 90°
• β: 93.718 ± 0.001°
• γ: 90°
• Cell volume: 5268.1 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No