Information card for entry 4334928

Structure parameters

• Formula: C3 H6 Bi N9 O
• Calculated formula: C3 H6 Bi N9 O
• Title of publication: Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion
• Authors of publication: Kati Rosenstengel; Axel Schulz; Alexander Villinger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6110 - 6126
• a: 12.9369 ± 0.001 Å
• b: 11.465 ± 0.0008 Å
• c: 6.3166 ± 0.0004 Å
• α: 90°
• β: 91.374 ± 0.005°
• γ: 90°
• Cell volume: 936.62 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No