Information card for entry 4315993

Structure parameters

• Formula: C36 H42 Bi4 Cl18 N6
• Calculated formula: C36 H42 Bi4 Cl18 N6
• SMILES: [Bi]12(Cl)([Cl][Bi]3([Cl][Bi](Cl)([Cl][Bi]([Cl]1)([Cl]2)(Cl)(Cl)Cl)(Cl)(Cl)[Cl]3)(Cl)(Cl)Cl)(Cl)Cl.[n+]1(C)ccc(cc1)c1cc[n+](C)cc1.[n+]1(C)ccc(cc1)c1cc[n+](C)cc1.[n+]1(C)ccc(cc1)c1cc[n+](C)cc1
• Title of publication: Photochromism, Electrical Properties, and Structural Investigations of a Series of Hydrated Methylviologen Halobismuthate Hybrids: Influence of the Anionic Oligomer Size and Iodide Doping on the Photoinduced Properties and on the Dehydration Process
• Authors of publication: Nicolas Leblanc; Wenhua Bi; Nicolas Mercier; Pascale Auban-Senzier; Claude Pasquier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5824 - 5833
• a: 9.2588 ± 0.0007 Å
• b: 12.5306 ± 0.0009 Å
• c: 14.5781 ± 0.0004 Å
• α: 72.336 ± 0.005°
• β: 89.811 ± 0.006°
• γ: 71.266 ± 0.006°
• Cell volume: 1517.87 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No