Information card for entry 7049904

Structure parameters

• Formula: C20 H36 Bi4 Br18 N8 O3
• Calculated formula: C20 H30 Bi4 Br18 N8 O3
• Title of publication: Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.
• Authors of publication: Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 7602 - 7611
• a: 26.452 ± 0.001 Å
• b: 9.744 ± 0.0004 Å
• c: 22.4625 ± 0.0008 Å
• α: 90°
• β: 102.778 ± 0.001°
• γ: 90°
• Cell volume: 5646.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No