Information card for entry 4071532

Structure parameters

• Formula: C70 H68 B F30 Mo N O4
• Calculated formula: C70 H68 B F30 Mo N O4
• SMILES: C(=[Mo](=Nc1c(C(C)C)cccc1C(C)C)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)OC(C(F)(F)F)(C(F)(F)F)C)C(C)(C)c1ccccc1.[B-](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• 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: 16.2 ± 0.002 Å
• b: 22.5 ± 0.003 Å
• c: 20.048 ± 0.003 Å
• α: 90°
• β: 96.045 ± 0.002°
• γ: 90°
• Cell volume: 7266.9 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No