Information card for entry 4003432

Structure parameters

• Chemical name: 2-bromo-N,N,N-trimethylethan-1-aminium tetrabromomanganate(II)
• Formula: C12 H30 Br6 Mn N2
• Calculated formula: C12 H30 Br6 Mn N2
• SMILES: Br[Mn](Br)([Br-])[Br-].BrCCC[N+](C)(C)C.BrCCC[N+](C)(C)C
• Title of publication: Manganese(II) in Tetrahedral Halide Environment: Factors Governing Bright Green Luminescence
• Authors of publication: Morad, Viktoriia; Cherniukh, Ihor; Pöttschacher, Lena; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• a: 23.5987 ± 0.0008 Å
• b: 9.4951 ± 0.0002 Å
• c: 15.7871 ± 0.0005 Å
• α: 90°
• β: 91.653 ± 0.003°
• γ: 90°
• Cell volume: 3535.98 ± 0.18 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No