Information card for entry 7126090

Structure parameters

• Formula: C72 H94 Mn2 N6
• Calculated formula: C72 H94 Mn2 N6
• Title of publication: Scope and mechanism of nitrile dihydroboration mediated by a β-diketiminate manganese hydride catalyst.
• Authors of publication: Nguyen, Thao T.; Kim, Jun-Hyeong; Kim, Suyeon; Oh, Changjin; Flores, Marco; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 28
• Pages of publication: 3959 - 3962
• a: 12.3092 ± 0.0005 Å
• b: 12.735 ± 0.0005 Å
• c: 20.557 ± 0.0009 Å
• α: 90°
• β: 92.955 ± 0.001°
• γ: 90°
• Cell volume: 3218.2 ± 0.2 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: 0.062
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No