Information card for entry 7231707

Structure parameters

• Formula: C18 H25 Bi2 Br12 N3 O2
• Calculated formula: C18 H21 Bi2 Br12 N3 O2
• 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: 8.1878 ± 0.0007 Å
• b: 12.1235 ± 0.0009 Å
• c: 19.5314 ± 0.0015 Å
• α: 90°
• β: 99.969 ± 0.008°
• γ: 90°
• Cell volume: 1909.5 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No