Information card for entry 8105126

Structure parameters

• Chemical name: 3-((1<i>R</i>,2<i>S</i>)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridomanganate(II), C~10~H~16~Cl~4~MnN~2~
• Formula: C10 H16 Cl4 Mn N2
• Calculated formula: C10 H16 Cl4 Mn N2
• SMILES: [Mn](Cl)(Cl)([Cl-])[Cl-].[nH+]1cc(ccc1)[C@H]1[NH+](CCC1)C
• Title of publication: The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridomanganate(II), C10H16Cl4MnN2
• Authors of publication: Reiss, Guido J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 415 - 417
• a: 7.28276 ± 0.00007 Å
• b: 13.22972 ± 0.00012 Å
• c: 8.01007 ± 0.00007 Å
• α: 90°
• β: 97.5018 ± 0.0009°
• γ: 90°
• Cell volume: 765.156 ± 0.012 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0171
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No