Information card for entry 4311918

Structure parameters

• Formula: C26 H56 Bi3 Cl2 I11 N4
• Calculated formula: C26 H56 Bi3 Cl2 I11 N4
• SMILES: [Bi](Cl)([Cl-])(I)I.[Bi]12([I][Bi]([I]1)([I]2)(I)(I)I)(I)(I)I.C1CC(CC[NH2+]1)CCCC1CC[NH2+]CC1.C1CC(CC[NH2+]1)CCCC1CC[NH2+]CC1
• Title of publication: Preparation and Characterization of Novel Inorganic-Organic Hybrid Materials Containing Rare, Mixed-Halide Anions of Bismuth(III)
• Authors of publication: Goforth, Andrea M.; Smith, Mark D.; Peterson, Jr, LeRoy; zur Loye, Hans-Conrad
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Journal issue: 22
• Pages of publication: 7042 - 7049
• a: 22.8586 ± 0.0011 Å
• b: 15.5878 ± 0.0007 Å
• c: 17.6793 ± 0.0009 Å
• α: 90°
• β: 118.701 ± 0.001°
• γ: 90°
• Cell volume: 5525.4 ± 0.5 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No