Information card for entry 4307164

Structure parameters

• Formula: C104 H96 Bi4 Br12 Cu N8 O8 S12
• Calculated formula: C104 H96 Bi4 Br12 Cu N8 O8 S12
• Title of publication: Multiple Bismuth(III)-Thioether Secondary Interactions Integrate Metalloporphyrin Ligands into Functional Networks
• Authors of publication: Kunhao Li; Guo Huang; Zhengtao Xu; Mingliang Zhang; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che; Wai-Yeung Wong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4844 - 4849
• a: 13.949 ± 0.0019 Å
• b: 27.592 ± 0.004 Å
• c: 16.714 ± 0.002 Å
• α: 90°
• β: 107.134 ± 0.002°
• γ: 90°
• Cell volume: 6147.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No