Information card for entry 4003435

Structure parameters

• Chemical name: N-benzyl-N,N,N-trimethylammonium tetrachloromanganate(II)
• Formula: C20 H32 Cl4 Mn N2
• Calculated formula: C20 H32 Cl4 Mn N2
• SMILES: [Mn](Cl)(Cl)(Cl)Cl.[Mn](Cl)(Cl)(Cl)Cl.c1c(C[N+](C)(C)C)cccc1.[N+](Cc1ccccc1)(C)(C)C.[N+](Cc1ccccc1)(C)(C)C.C([NH3+])(C)(Cc1ccccc1)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: 9.5066 ± 0.0002 Å
• b: 8.9878 ± 0.0002 Å
• c: 29.1439 ± 0.0007 Å
• α: 90°
• β: 91.006 ± 0.002°
• γ: 90°
• Cell volume: 2489.77 ± 0.1 ų
• Cell temperature: 130.01 ± 0.1 K
• Ambient diffraction temperature: 130.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2698
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No