Information card for entry 4104500

Structure parameters

• Formula: C52 H57 N2 O P W
• Calculated formula: C52 H57 N2 O P W
• SMILES: C=[W]([P](C)(C)C)(n1c(C)ccc1C)(=Nc1c(C(C)C)cccc1C(C)C)Oc1c(c2ccccc2)c(c2ccccc2)cc(c2ccccc2)c1c1ccccc1
• Title of publication: Fundamental Studies of Tungsten Alkylidene Imido Monoalkoxidepyrrolide Complexes
• Authors of publication: Annie J. Jiang; Jeffrey H. Simpson; Peter Müller; Richard R. Schrock
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 7770 - 7780
• a: 11.0794 ± 0.0007 Å
• b: 12.0146 ± 0.0008 Å
• c: 17.5559 ± 0.0011 Å
• α: 93.976 ± 0.001°
• β: 99.307 ± 0.001°
• γ: 103.313 ± 0.001°
• Cell volume: 2230.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0265
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No