Information card for entry 7013650

Structure parameters

• Formula: C18 H25 F6 Mo N O8 S2
• Calculated formula: C18 H25 F6 Mo N O8 S2
• SMILES: [Mo]12(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([O](CC[O]1C)C)=Nc1ccccc1CCC(C=2)(C)C
• Title of publication: Synthesis and structure of an imido-tethered Schrock carbene of molybdenumElectronic supplementary information (ESI) available: Synthetic details for the generation of 2-(3,3-dimethypent-4-enyl)aniline (1) and the tethered molybdenum carbene 4. Tables for the X-ray diffraction study on 4. See http://www.rsc.org/suppdata/dt/b3/b311320p/
• Authors of publication: Ciszewski, James T.; Xie, Baohan; Cao, Changsheng; Odom, Aaron L.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 22
• Pages of publication: 4226
• a: 12.669 ± 0.003 Å
• b: 15.745 ± 0.005 Å
• c: 12.809 ± 0.004 Å
• α: 90°
• β: 92.648 ± 0.006°
• γ: 90°
• Cell volume: 2552.3 ± 1.3 ų
• Cell temperature: 176 ± 2 K
• Ambient diffraction temperature: 176 ± 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: 0.2107
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.2494
• Weighted residual factors for all reflections included in the refinement: 0.3341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No