Information card for entry 7049905

Structure parameters

• Formula: C24 H44 Bi2 Br12 N6 O
• Calculated formula: C24 H44 Bi2 Br12 N6 O
• 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: 11.0371 ± 0.0006 Å
• b: 13.422 ± 0.0007 Å
• c: 15.1336 ± 0.0008 Å
• α: 90°
• β: 90.014 ± 0.002°
• γ: 90°
• Cell volume: 2241.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No