Information card for entry 1570274

Structure parameters

• Formula: C19 H18 Cl2 Mn N6 O
• Calculated formula: C19 H18 Cl2 Mn N6 O
• 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: 19.775 ± 0.005 Å
• b: 17.494 ± 0.004 Å
• c: 14.574 ± 0.004 Å
• α: 90°
• β: 129.016 ± 0.008°
• γ: 90°
• Cell volume: 3917.3 ± 1.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No