Information card for entry 4066824

Structure parameters

• Formula: C58 H59 Cl4 Mn N2 O P4
• Calculated formula: C58 H59 Cl4 Mn N2 O P4
• SMILES: [MnH]12([P]3(c4ccccc4)CN(Cc4ccccc4)C[P]1(CN(Cc1ccccc1)C3)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis, Structures, and Reactions of Manganese Complexes Containing Diphosphine Ligands with Pendant Amines
• Authors of publication: Welch, Kevin D.; Dougherty, William G.; Kassel, W. Scott; DuBois, Daniel L.; Bullock, R. Morris
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4532
• a: 28.894 ± 0.005 Å
• b: 13.643 ± 0.002 Å
• c: 13.733 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5413.6 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No