Information card for entry 1549796

Structure parameters

• Formula: C58 H84 Mn2 N4
• Calculated formula: C58 H84 Mn2 N4
• SMILES: [Mn]123([Mn]4([H]2)([H]3)[N](=C(C)C=C(N4c2c(cccc2C(C)C)C(C)C)C)c2c(cccc2C(C)C)C(C)C)[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight.
• Authors of publication: Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 39
• Pages of publication: 7673 - 7680
• a: 14.1097 ± 0.0013 Å
• b: 14.319 ± 0.0013 Å
• c: 14.2262 ± 0.0013 Å
• α: 90°
• β: 111.886 ± 0.0014°
• γ: 90°
• Cell volume: 2667.1 ± 0.4 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No