Information card for entry 1569535

Structure parameters

• Chemical name: Bis(tetrabutylammonium) tetrachloridomanganate(II) dichloromethane disolvate
• Formula: C34 H76 Cl8 Mn N2
• Calculated formula: C34 H76 Cl8 Mn N2
• SMILES: C(CCC)[N+](CCCC)(CCCC)CCCC.C(Cl)Cl.[Mn](Cl)(Cl)([Cl-])[Cl-].C(CCC)[N+](CCCC)(CCCC)CCCC.C(Cl)Cl
• Title of publication: Bis(tetrabutylammonium) tetrachloridomanganate(II) dichloromethane disolvate
• Authors of publication: Hay, Michael T.; Yennawar, Hemant P.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 7
• Pages of publication: x230610
• a: 14.0775 ± 0.0003 Å
• b: 14.0775 ± 0.0003 Å
• c: 24.3492 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4825.4 ± 0.2 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No