Information card for entry 4084385

Structure parameters

• Formula: C30 H39 N2 O P W
• Calculated formula: C30 H39 N2 O P W
• SMILES: O=[W](=CC(C)(C)c1ccccc1)([P](c1ccccc1)(C)C)(n1c(C)ccc1C)n1c(C)ccc1C
• Title of publication: Synthesis of Molybdenum and Tungsten Alkylidene Complexes That Contain Sterically Demanding Arenethiolate Ligands.
• Authors of publication: Townsend, Erik M.; Hyvl, Jakub; Forrest, William P.; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5334 - 5341
• a: 17.391 ± 0.002 Å
• b: 18.729 ± 0.002 Å
• c: 8.6911 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2830.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No