Information card for entry 4131232

Structure parameters

• Common name: 2Ph2PPrPDIMnOCPhCF3
• Formula: C118 H140 F6 Mn2 N6 O8 P4
• Calculated formula: C118 H140 F6 Mn2 N6 O8 P4
• Title of publication: Mechanistic Investigation of Bis(imino)pyridine Manganese Catalyzed Carbonyl and Carboxylate Hydrosilylation.
• Authors of publication: Mukhopadhyay, Tufan K.; Rock, Christopher L.; Hong, Mannkyu; Ashley, Daniel C.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 13
• Pages of publication: 4901 - 4915
• a: 14.5008 ± 0.0008 Å
• b: 14.7881 ± 0.0009 Å
• c: 15.1141 ± 0.0009 Å
• α: 92.0219 ± 0.0009°
• β: 115.433 ± 0.0008°
• γ: 109.457 ± 0.0009°
• Cell volume: 2698.6 ± 0.3 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No