Information card for entry 7714796

Structure parameters

• Formula: C4 H14 Br4 Mn N4
• Calculated formula: C4 H14 Br4 Mn N4
• SMILES: Br[Mn](Br)([Br-])[Br-].[NH2+]=C(N)C.NC(=[NH2+])C
• 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: 7.8711 ± 0.00007 Å
• b: 7.97838 ± 0.00009 Å
• c: 12.90853 ± 0.00012 Å
• α: 72.66 ± 0.0009°
• β: 78.5236 ± 0.0007°
• γ: 67.0044 ± 0.001°
• Cell volume: 709.158 ± 0.013 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No