Information card for entry 2108874

Structure parameters

• Chemical name: Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium) tri-μ-chlorido-bis[trichloridobismuthate(III)]
• Formula: C15 H42 Bi2 Cl9 N9
• Calculated formula: C15 H42 Bi2 Cl9 N9
• SMILES: [Bi]12(Cl)([Cl][Bi](Cl)([Cl]1)(Cl)([Cl]2)Cl)(Cl)Cl.[NH2+]=C(N(C)C)N(C)C.[NH2+]=C(N(C)C)N(C)C.[NH2+]=C(N(C)C)N(C)C
• Title of publication: Understanding distortions of inorganic substructures in chloridobismuthates(III)
• Authors of publication: Bujak, Maciej
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 5
• a: 10.57031 ± 0.00017 Å
• b: 29.2063 ± 0.0004 Å
• c: 12.04367 ± 0.00019 Å
• α: 90°
• β: 106.634 ± 0.0017°
• γ: 90°
• Cell volume: 3562.52 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0239
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes