Information card for entry 4328151

Structure parameters

• Common name: [Mn2O2(Metpy)2(H2O)2][Mn(Metpy)(NO3)(H2O)2]2(NO3)5 - 6(H2O)
• Formula: C64 H76 Mn4 N19 O35
• Calculated formula: C64 H72 Mn4 N19 O34.96
• 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: 7.803 ± 0.0002 Å
• b: 14.1073 ± 0.0004 Å
• c: 18.584 ± 0.0006 Å
• α: 84.391 ± 0.002°
• β: 83.461 ± 0.003°
• γ: 84.56 ± 0.002°
• Cell volume: 2015.42 ± 0.1 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: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No