Information card for entry 2021660

Structure parameters

• Chemical name: Poly[hexakis[μ~4~-(2-carboxylatophenyl)sulfanido]di-μ~3~-chlorido-tri-μ~2~-hydroxido-octanickel(II)sodium(I)]
• Formula: C42 H27 Cl2 Na Ni8 O15 S6
• Calculated formula: C42 H27 Cl2 Na Ni8 O15 S6
• Title of publication: Nickel(II) cluster-based mixed-cation coordination polymer synthesized from 2-mercaptobenzoic acid and its application
• Authors of publication: Zhu, Jingyan; Yan, Shan; Xiao, Hongping; Jiang, Jun; Li, Xinhua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 7
• a: 13.2027 ± 0.0007 Å
• b: 13.2027 ± 0.0007 Å
• c: 18.3116 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2764.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes