Information card for entry 7244716

Structure parameters

• Formula: C12 H36 Bi2 Cl11 N3
• Calculated formula: C12 H36 Bi2 Cl11.0004 N3
• Title of publication: Dichlorine-containing chlorobismuthate(III) supramolecular hybrid: structure and experimental studies of stability
• Authors of publication: Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Kolesov, Boris A.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maksim Nailyevich; Adonin, Sergey A.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.1792 ± 0.0003 Å
• b: 9.1792 ± 0.0003 Å
• c: 21.9776 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1603.69 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.449
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No