Information card for entry 4131231

Structure parameters

• Common name: Ph2PPrPDIMnH
• Formula: C39 H42 Mn N3 P2
• Calculated formula: C39 H42 Mn N3 P2
• SMILES: [MnH]1234[P](CCC[N]2=C(C)c2[n]3c(ccc2)C(=[N]4CCC[P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1
• 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: 10.6382 ± 0.0004 Å
• b: 17.4039 ± 0.0007 Å
• c: 18.8993 ± 0.0007 Å
• α: 79.892 ± 0.001°
• β: 87.553 ± 0.001°
• γ: 77.84 ± 0.001°
• Cell volume: 3367.5 ± 0.2 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 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: 0.0641
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No