Information card for entry 8105989

Structure parameters

• Formula: C48 H37 Cl3 Mn2 N4 O10
• Calculated formula: C48 H37 Cl3 Mn2 N4 O10
• SMILES: [Mn]123([O]=C(O[Mn]4([O]=C(O1)c1c(Cl)cccc1)(OC(=O)c1c(Cl)cccc1)([OH]2)[n]1cccc2ccc5ccc[n]4c5c12)c1c(Cl)cccc1)([O]=C(C)O)[n]1cccc2ccc4ccc[n]3c4c12.OC
• Title of publication: Crystal structure of (acetic acid-κ1O)-bis(μ2-2-chlorobenzoato-κ2O:O′)-(2-chlorobenzoato-κ1O)-(μ2-hydroxy-κ2O:O)-bis(1,10-phenanthroline-κ2N,N′)dimanganese(II) — methanol (1/1), C48H37Cl3Mn2N4O10
• Authors of publication: Li, Feng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1227 - 1229
• a: 12.759 ± 0.003 Å
• b: 19.347 ± 0.005 Å
• c: 18.945 ± 0.005 Å
• α: 90°
• β: 97.321 ± 0.005°
• γ: 90°
• Cell volume: 4638 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No