Information card for entry 4328152

Structure parameters

• Common name: [Mn2O2(MeStpy)2(H2O)2](NO3) - 6(H2O)
• Formula: C32 H42 Mn2 N9 O19 S2
• Calculated formula: C32 H34 Mn2 N9 O19 S2
• 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: 9.9219 ± 0.0008 Å
• b: 10.668 ± 0.001 Å
• c: 11.1863 ± 0.0008 Å
• α: 64.322 ± 0.005°
• β: 83.79 ± 0.006°
• γ: 80.843 ± 0.002°
• Cell volume: 1052.48 ± 0.16 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No