Information card for entry 7231704

Structure parameters

• Formula: C10 H12 Bi Br7 N2 O
• Calculated formula: C10 H10 Bi Br7 N2 O
• 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: 8.2817 ± 0.0004 Å
• b: 20.8514 ± 0.0011 Å
• c: 12.0986 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2089.25 ± 0.17 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0422
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No