Information card for entry 7049908

Structure parameters

• Formula: C15 H21 Bi2 Br5.16 I3.84 N6
• Calculated formula: C15 H21 Bi2 Br5.16 I3.84 N6
• 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: 15.0541 ± 0.0006 Å
• b: 12.8474 ± 0.0005 Å
• c: 34.972 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6763.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No