Information card for entry 7002469

Structure parameters

• Formula: C42 H40 Cl2 Mn2 N6 O18
• Calculated formula: C42 H40 Cl2 Mn2 N6 O18
• Title of publication: Coordination modes of bridge carboxylates in dinuclear manganese compounds determine their catalase-like activities
• Authors of publication: Jiang, Xiaojun; Liu, Hui; Zheng, Bing; Zhang, Jingyan
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8714 - 8723
• a: 19.5593 ± 0.0007 Å
• b: 20.5641 ± 0.0008 Å
• c: 23.7794 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9564.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1687
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No