Information card for entry 4328150

Structure parameters

• Common name: [Mn2O2(PrOtpy)2(H2O)2](NO3)3- 3.5(H2O)
• Formula: C36 H45 Mn2 N9 O18.5
• Calculated formula: C36 H44 Mn2 N9 O18.5
• Title of publication: Substituent Effects on Core Structures and Heterogeneous Catalytic Activities of MnIII(μ-O)2MnIV Dimers with 2,2':6',2"-Terpyridine Derivative Ligands for Water Oxidation
• Authors of publication: Hirosato Yamazaki; Satoshi Igarashi; Toshi Nagata; Masayuki Yagi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1530 - 1539
• a: 11.6339 ± 0.0001 Å
• b: 13.5458 ± 0.0001 Å
• c: 15.7383 ± 0.0003 Å
• α: 102.065 ± 0.001°
• β: 98.554 ± 0.001°
• γ: 110.912 ± 0.0009°
• Cell volume: 2196.89 ± 0.05 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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 significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.284
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No