Information card for entry 4071529

Structure parameters

• Formula: C72 H74 B F24 Mo N2 O3.5
• Calculated formula: C72 H74 B F24 Mo N2 O3.5
• SMILES: [Mo](=CC(C)(C)c1ccccc1)(=Nc1c(C(C)C)cccc1C(C)C)(n1cccc1)([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(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CCOCC
• 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: 18.4389 ± 0.0006 Å
• b: 21.1079 ± 0.0007 Å
• c: 18.8695 ± 0.0006 Å
• α: 90°
• β: 95.313 ± 0.001°
• γ: 90°
• Cell volume: 7312.6 ± 0.4 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: 0.0602
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No