Information card for entry 7714794

Structure parameters

• Formula: C3 H15 Br5 Mn N6
• Calculated formula: C3 H15 Br5 Mn N6
• SMILES: Br[Mn](Br)([Br-])[Br-].[Br-].NC=[NH2+].NC=[NH2+].NC=[NH2+]
• 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: 11.2782 ± 0.0004 Å
• b: 15.363 ± 0.0004 Å
• c: 9.5551 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1655.58 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No