Information card for entry 7002821

Structure parameters

• Formula: C68 H84 Cl4 Mn4 N16 O26
• Calculated formula: C68 H84 Cl4 Mn4 N16 O26
• Title of publication: Two tetranuclear Mn-complexes as biomimetic models of the oxygen evolving complex in Photosystem II. A synthesis, characterisation and reactivity study
• Authors of publication: Berggren, Gustav; Thapper, Anders; Huang, Ping; Kurz, Philipp; Eriksson, Lars; Styring, Stenbjörn; Anderlund, Magnus F.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 45
• Pages of publication: 10044 - 10054
• a: 11.7119 ± 0.0014 Å
• b: 12.7287 ± 0.0014 Å
• c: 16.245 ± 0.002 Å
• α: 68.501 ± 0.011°
• β: 73.531 ± 0.011°
• γ: 69.659 ± 0.011°
• Cell volume: 2078.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1773
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No