Information card for entry 7231702

Structure parameters

• Formula: C12 H14 Bi Br2 Cl5 N2
• Calculated formula: C12 H14 Bi Br2 Cl5 N2
• Title of publication: Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring
• Authors of publication: Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 48
• Pages of publication: 7766
• a: 21.9138 ± 0.0009 Å
• b: 8.3002 ± 0.0003 Å
• c: 11.1021 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2019.35 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No