Information card for entry 2208247

Structure parameters

• Chemical name: μ-Oxalato-bis[chlorotripyridinemanganese(II)] pyridine disolvate
• Formula: C42 H40 Cl2 Mn2 N8 O4
• Calculated formula: C42 H40 Cl2 Mn2 N8 O4
• SMILES: C12C(=[O][Mn](O2)(Cl)([n]2ccccc2)([n]2ccccc2)[n]2ccccc2)O[Mn]([O]=1)(Cl)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.c1ncccc1.c1ccccn1
• Title of publication: μ-Oxalato-bis[chlorotripyridinemanganese(II)] pyridine disolvate
• Authors of publication: Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m634 - m635
• a: 9.7867 ± 0.0008 Å
• b: 10.1883 ± 0.0009 Å
• c: 10.9221 ± 0.0009 Å
• α: 79.096 ± 0.007°
• β: 82.11 ± 0.007°
• γ: 89.374 ± 0.007°
• Cell volume: 1059.13 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes