Information card for entry 4087832

Structure parameters

• Formula: C33 H45 F6 N O2 W
• Calculated formula: C33 H45 F6 N O2 W
• SMILES: C(C(C)(C)C)[W]12(=NC(C)(C)C)Oc3c(cc(c(c3c3c(O1)c(cc(c3C)C(F)(F)F)C(C)(C)C)C)C(F)(F)F)C(C2)(C)C
• Title of publication: Synthesis of Molybdenum and Tungsten Alkylidene Complexes that Contain atert-Butylimido Ligand
• Authors of publication: Jeong, Hyangsoo; Schrock, Richard R.; Müller, Peter
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4408
• a: 12.8518 ± 0.0011 Å
• b: 17.2888 ± 0.0016 Å
• c: 15.1767 ± 0.0014 Å
• α: 90°
• β: 97.007 ± 0.001°
• γ: 90°
• Cell volume: 3347 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0191
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No