Information card for entry 4073427

Structure parameters

• Formula: C44 H54 F3 Mo N3 O3 S
• Calculated formula: C44 H54 F3 Mo N3 O3 S
• SMILES: [Mo]123(OS(=O)(=O)C(F)(F)F)(=Nc4c(cccc4C(C)C)C(C)C)[N](=C([C@H]([C]3(=[N]1c1c(cccc1C)C2)C)CC(C)(C)c1ccccc1)C)c1c(cccc1C)C
• 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: 10.755 ± 0.0005 Å
• b: 17.4054 ± 0.0009 Å
• c: 22.5561 ± 0.0012 Å
• α: 90°
• β: 92.02 ± 0.002°
• γ: 90°
• Cell volume: 4219.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0782
• 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