Information card for entry 7231701

Structure parameters

• Formula: C10 H9 Bi Br2 Cl4 N2
• Calculated formula: C10 H9 Bi Br2 Cl4 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: 7.12752 ± 0.00019 Å
• b: 17.6661 ± 0.0004 Å
• c: 13.3872 ± 0.0003 Å
• α: 90°
• β: 93.272 ± 0.003°
• γ: 90°
• Cell volume: 1682.91 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No