Information card for entry 7033847

Structure parameters

• Formula: C106 H177 Ca2 Mn9 N6 O44
• Calculated formula: C106 H177 Ca2 Mn9 N6 O43.9996
• Title of publication: Artificial synthetic Mn(IV)Ca-oxido complexes mimic the oxygen-evolving complex in photosystem II.
• Authors of publication: Chen, Changhui; Zhang, Chunxi; Dong, Hongxing; Zhao, Jingquan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4431 - 4435
• a: 24.4452 ± 0.0004 Å
• b: 24.4452 ± 0.0004 Å
• c: 24.4452 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14607.7 ± 0.4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2094
• Weighted residual factors for all reflections included in the refinement: 0.2423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No