Information card for entry 4335365

Structure parameters

• Formula: C20 H20 Cl Mn N6 O8
• Calculated formula: C20 H20 Cl Mn N6 O8
• Title of publication: An Anionic N-Donor Ligand Promotes Manganese-Catalyzed Water Oxidation
• Authors of publication: Karin J. Young; Michael K. Takase; Gary W. Brudvig
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7615 - 7622
• a: 12.3103 ± 0.0002 Å
• b: 12.7533 ± 0.0002 Å
• c: 15.2151 ± 0.0011 Å
• α: 90°
• β: 102.026 ± 0.007°
• γ: 90°
• Cell volume: 2336.3 ± 0.19 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.0889
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.2354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No