Information card for entry 4334931

Structure parameters

• Formula: C72 H60 Bi N18 P3
• Calculated formula: C72 H60 Bi N18 P3
• SMILES: N(=N#N)[Bi](N=N#N)(N=N#N)(N=N#N)(N=N#N)N=N#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 13.2553 ± 0.0003 Å
• b: 22.6642 ± 0.0005 Å
• c: 21.8342 ± 0.0005 Å
• α: 90°
• β: 96.852 ± 0.001°
• γ: 90°
• Cell volume: 6512.6 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No