Information card for entry 1549312

Structure parameters

• Formula: C38 H79 K Mn O5
• Calculated formula: C38 H79 K Mn O5
• Title of publication: Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.
• Authors of publication: Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 19
• Pages of publication: 4524 - 4528
• a: 18.3234 ± 0.0012 Å
• b: 15.9361 ± 0.001 Å
• c: 16.771 ± 0.0011 Å
• α: 90°
• β: 122.093 ± 0.001°
• γ: 90°
• Cell volume: 4148.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.95 K
• Number of distinct elements: 5
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No