Information card for entry 4325753

Structure parameters

• Formula: C172 H140 In20 N30 Ni4 O3 S38
• Calculated formula: C144 H96 In20 N24 Ni4 S38
• Title of publication: Indium-Sulfur Supertetrahedral Polymers Integrated with [M(phen)3]2+ Cations (M = Ni and Fe)
• Authors of publication: Xu Zhang; Wen Luo; Ya-Ping Zhang; Jian-Bing Jiang; Qin-Yu Zhu; Jie Dai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6972 - 6978
• a: 29.9641 ± 0.0016 Å
• b: 18.4435 ± 0.0008 Å
• c: 41.506 ± 0.002 Å
• α: 90°
• β: 108.306 ± 0.001°
• γ: 90°
• Cell volume: 21777.2 ± 1.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No