Information card for entry 8107655

Structure parameters

• Formula: C30 H21 Br2 N2 Ni O4.5
• Calculated formula: C30 H21 Br2 N2 Ni O4.5
• Title of publication: Crystal structure of catena-poly[(μ 2-1,4-di(pyridin-4-yl)benzene-κ 2 N:N′)-(4-bromobenzoate-κ 2 O:O′)-(μ-2-bromobenzoate-κ 2 O,O′)nickel(II)] – water (2/1), C30H21Br2N2NiO4.5
• Authors of publication: Bao, Xiaobo; Tian, Chongchong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1043 - 1045
• a: 8.7895 ± 0.0017 Å
• b: 13.167 ± 0.003 Å
• c: 14.067 ± 0.003 Å
• α: 109.049 ± 0.003°
• β: 92.619 ± 0.003°
• γ: 108.533 ± 0.003°
• Cell volume: 1438.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0996
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No