Information card for entry 4325750

Structure parameters

• Formula: C162 H149 Fe4 In20 N29 O8 S38
• Calculated formula: C103 H56 Fe4 In20 N24 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: 11.868 ± 0.0006 Å
• b: 16.1506 ± 0.0008 Å
• c: 28.9425 ± 0.0018 Å
• α: 80.757 ± 0.004°
• β: 87.066 ± 0.004°
• γ: 80.195 ± 0.004°
• Cell volume: 5393.9 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No