Information card for entry 7714795

Structure parameters

• Formula: C12 H32 Br2 Mn O4
• Calculated formula: C12 H32 Br2 Mn O4
• Title of publication: Optical and scintillation properties of hybrid manganese(II) bromides with formamidinium and acetamidinium cations.
• Authors of publication: Fateev, Sergey A.; Kozhevnikova, Vladislava Y.; Kuznetsov, Kirill M.; Belikova, Daria E.; Khrustalev, Victor N.; Goodilin, Eugene A.; Tarasov, Alexey B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2722 - 2730
• a: 5.78966 ± 0.00008 Å
• b: 10.52718 ± 0.00016 Å
• c: 16.74863 ± 0.00019 Å
• α: 90°
• β: 97.3885 ± 0.0012°
• γ: 90°
• Cell volume: 1012.33 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No