Information card for entry 4311920

Structure parameters

• Formula: C13 H28 Bi Br4.01 I0.99 N2
• Calculated formula: C13 H28 Bi Br4.01 I0.99 N2
• 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: 8.5189 ± 0.0005 Å
• b: 14.8988 ± 0.0009 Å
• c: 17.9984 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2284.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No