Information card for entry 4071533

Structure parameters

• Formula: C60 H60 B Cl2 F30 Mo N O4
• Calculated formula: C67.505 H73.012 B Cl F30 Mo N O4
• SMILES: [Mo]1(OC(C(F)(F)F)(C(F)(F)F)C)([CH2]=[CH2]1)(=Nc1c(C(C)C)cccc1C(C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[B-](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(cc(C(F)(F)F)c1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.ClCCl.CCCCC
• Title of publication: Cationic Molybdenum Imido Alkylidene Complexes
• Authors of publication: Jiang, Annie J.; Schrock, Richard R.; Müller, Peter
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 17
• Pages of publication: 4428
• a: 12.937 ± 0.0004 Å
• b: 12.9705 ± 0.0004 Å
• c: 22.1851 ± 0.0007 Å
• α: 89.343 ± 0.001°
• β: 75.477 ± 0.001°
• γ: 85.394 ± 0.001°
• Cell volume: 3591.91 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No