Information card for entry 4349250

Structure parameters

• Formula: C114 H90 Bi N9 P6
• Calculated formula: C114 H90 Bi N9 P6
• SMILES: [Bi](C#N)(C#N)(C#N)(C#N)(C#N)C#N.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Cyanido Antimonate(III) and Bismuthate(III) Anions.
• Authors of publication: Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12321 - 12328
• a: 19.0495 ± 0.0007 Å
• b: 20.7536 ± 0.0008 Å
• c: 24.2348 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9581.1 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No