Information card for entry 1514376

Structure parameters

• Formula: C25 H27 F18 N O2 W
• Calculated formula: C25 H27 F18 N O2 W
• SMILES: [W](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(=CC(C)(C)C)(=Nc1c(cccc1C(C)C)C(C)C)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
• Title of publication: Magnitude and consequences of OR ligand σ-donation on alkene metathesis activity in d0 silica supported (SiO)W(NAr)(CHtBu)(OR) catalysts
• Authors of publication: Mougel, V.; Copéret, C.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2475
• a: 15.3435 ± 0.0004 Å
• b: 17.6683 ± 0.0005 Å
• c: 21.002 ± 0.0005 Å
• α: 65.712 ± 0.003°
• β: 71.109 ± 0.003°
• γ: 68.54 ± 0.003°
• Cell volume: 4728 ± 0.3 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No