Information card for entry 4314056

Structure parameters

• Formula: C12 H18 I4 N2 Pb S4
• Calculated formula: C12 H14 I4 N2 Pb S4
• Title of publication: Effect of Mono- versus Di-ammonium Cation of 2,2'-Bithiophene Derivatives on the Structure of Organic-Inorganic Hybrid Materials Based on Iodo Metallates
• Authors of publication: Xu-Hui Zhu; Nicolas Mercier; Pierre Frère; Philippe Blanchard; Jean Roncali; Magali Allain; Claude Pasquier; Amédée Riou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5330 - 5339
• a: 8.4741 ± 0.0005 Å
• b: 8.9255 ± 0.0006 Å
• c: 16.876 ± 0.001 Å
• α: 88.328 ± 0.005°
• β: 81.806 ± 0.004°
• γ: 88.864 ± 0.005°
• Cell volume: 1262.7 ± 0.14 ų
• Cell temperature: 293 ± 2 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: 0.0709
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No