Information card for entry 1570276

Structure parameters

• Formula: C19 H15 F6 Mn N5 O7 S2
• Calculated formula: C19 H15 F6 Mn N5 O7 S2
• 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: 8.0555 ± 0.0002 Å
• b: 10.3178 ± 0.0002 Å
• c: 29.9387 ± 0.0006 Å
• α: 90°
• β: 93.604 ± 0.001°
• γ: 90°
• Cell volume: 2483.44 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No