Information card for entry 7033848

Structure parameters

• Formula: C81 H162 Ca2 Mn6 O43
• Calculated formula: C75 H148 Ca2 Mn6 O43
• 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: 14.878 ± 0.003 Å
• b: 15.831 ± 0.003 Å
• c: 26.221 ± 0.005 Å
• α: 93.68 ± 0.002°
• β: 97.73 ± 0.003°
• γ: 112.599 ± 0.003°
• Cell volume: 5604.4 ± 1.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2389
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No