Information card for entry 2218504

Structure parameters

• Chemical name: Hexa-μ~2~-benzoato-bis(2,2'-bipyridyl)trimanganese(II) monohydrate
• Formula: C62 H48 Mn3 N4 O13
• Calculated formula: C62 H48 Mn3 N4 O13
• Title of publication: Hexa-μ~2~-benzoato-bis(2,2'-bipyridyl)trimanganese(II) monohydrate
• Authors of publication: Yao, Hong-Chang; Wang, Ning; Zhang, Li; Li, Zhong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m774
• a: 11.2312 ± 0.0005 Å
• b: 11.7544 ± 0.0002 Å
• c: 11.994 ± 0.003 Å
• α: 72.046 ± 0.003°
• β: 71.094 ± 0.001°
• γ: 80.418 ± 0.002°
• Cell volume: 1421.1 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes