Information card for entry 1570277

Structure parameters

• Formula: C51 H50 Cl6 Mn3 N15 O31
• Calculated formula: C51 H50 Cl6 Mn3 N15 O31
• Title of publication: Synthesis and Characterization of Bipyridyl-(Imidazole)_n Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation.
• Authors of publication: Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E.
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2023
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 7221
• a: 11.82 ± 0.001 Å
• b: 12.7584 ± 0.0011 Å
• c: 13.3067 ± 0.0013 Å
• α: 109.691 ± 0.006°
• β: 107.464 ± 0.005°
• γ: 99.058 ± 0.005°
• Cell volume: 1726 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No