Information card for entry 4079583

Structure parameters

• Formula: C49 H46 F10 N O2 P W
• Calculated formula: C49 H46 F10 N O2 P W
• SMILES: [W]([P](c1ccccc1)(C)C)(=O)(Oc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(N(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)=CC(C)(C)C
• Title of publication: Synthesis of Tungsten Oxo Alkylidene Complexes
• Authors of publication: Peryshkov, Dmitry V.; Schrock, Richard R.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7278
• a: 12.0498 ± 0.0005 Å
• b: 21.0063 ± 0.001 Å
• c: 17.9963 ± 0.0008 Å
• α: 90°
• β: 95.365 ± 0.001°
• γ: 90°
• Cell volume: 4535.3 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No