Information card for entry 4073426

Structure parameters

• Formula: C42 H47 Cl4 F3 Mo N3 O3.5 S
• Calculated formula: C42 H47 Cl4 F3 Mo N3 O3.5 S
• SMILES: [Mo]1(=CC(C)(C)c2ccccc2)(N(c2c(Cl)cccc2Cl)C(=CC(=[N]1c1c(Cl)cccc1Cl)C)C)(=Nc1c(C(C)C)cccc1C(C)C)OS(=O)(=O)C(F)(F)F.CCOCC
• Title of publication: Molybdenum Imido Alkylidene Complexes that Contain a β-Diketiminate Ligand
• Authors of publication: Tonzetich, Zachary J.; Jiang, Annie J.; Schrock, Richard R.; Müller, Peter
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 3771
• a: 11.0969 ± 0.0005 Å
• b: 17.9753 ± 0.0008 Å
• c: 21.9851 ± 0.0008 Å
• α: 90°
• β: 92.29 ± 0.001°
• γ: 90°
• Cell volume: 4381.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No