Information card for entry 4508994

Structure parameters

• Chemical name: [Ni(XG4)(H2O)2(OSO3)]-EtOH-H2O
• Formula: C20 H30 N6 Ni O8 S
• Calculated formula: C20 H30 N6 Ni O8 S
• Title of publication: Coordination Polymers with Varied Metal Centers and Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)benzene: Synthesis, Structure, and Reversible Anion Exchange Property
• Authors of publication: Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Bai, Zheng-Shuai; Hua, Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 395
• a: 8.691 ± 0.0018 Å
• b: 11.908 ± 0.003 Å
• c: 12.66 ± 0.003 Å
• α: 88.965 ± 0.014°
• β: 78.925 ± 0.013°
• γ: 70.326 ± 0.013°
• Cell volume: 1209.2 ± 0.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0339
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No