Information card for entry 4066823

Structure parameters

• Formula: C57 H58 Mn N O2 P4
• Calculated formula: C57 H58 Mn N O2 P4
• SMILES: [MnH]12([P](c3ccccc3)(c3ccccc3)CN(C)C[P]1(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].O1CCCC1
• 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: 36.1746 ± 0.0007 Å
• b: 13.3586 ± 0.0003 Å
• c: 20.0544 ± 0.0004 Å
• α: 90°
• β: 92.198 ± 0.001°
• γ: 90°
• Cell volume: 9684 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No