Information card for entry 4120532

Structure parameters

• Formula: C41 H45 Cl2 Mn N3 O0.5 P2
• Calculated formula: C41 H45 Cl2 Mn N3 O0.5 P2
• Title of publication: A highly active manganese precatalyst for the hydrosilylation of ketones and esters.
• Authors of publication: Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 3
• Pages of publication: 882 - 885
• a: 16.954 ± 0.0007 Å
• b: 12.1473 ± 0.0005 Å
• c: 37.0711 ± 0.0015 Å
• α: 90°
• β: 100.276 ± 0.001°
• γ: 90°
• Cell volume: 7512.2 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No