Information card for entry 7049901

Structure parameters

• Formula: C12 H24 Bi2 Br10 N4 O2
• Calculated formula: C12 H24 Bi2 Br10 N4 O2
• 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: 11.1553 ± 0.0014 Å
• b: 11.2184 ± 0.0014 Å
• c: 13.2282 ± 0.0016 Å
• α: 90°
• β: 109.653 ± 0.003°
• γ: 90°
• Cell volume: 1559 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No