Information card for entry 2211191

Structure parameters

• Chemical name: Di-μ-benzoato-bis[benzoatodipyridinemanganese(II)]
• Formula: C48 H40 Mn2 N4 O8
• Calculated formula: C48 H40 Mn2 N4 O8
• SMILES: C1(c2ccccc2)=[O][Mn]2([n]3ccccc3)([n]3ccccc3)([O]=C(c3ccccc3)O[Mn]3([n]4ccccc4)([n]4ccccc4)([O]=C(c4ccccc4)O2)[O]=C(c2ccccc2)O3)O1
• Title of publication: Di-μ-benzoato-bis[benzoatodipyridinemanganese(II)]
• Authors of publication: Ran, Jing-Wen; Gong, Dao-Jun; Li, Ya-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3142 - m3143
• a: 12.7476 ± 0.0008 Å
• b: 8.4582 ± 0.0005 Å
• c: 20.5745 ± 0.0013 Å
• α: 90°
• β: 100.185 ± 0.001°
• γ: 90°
• Cell volume: 2183.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0423
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes