Information card for entry 4080711

Structure parameters

• Formula: C57 H54 N4 O W
• Calculated formula: C57 H54 N4 O W
• Title of publication: Monoaryloxide Pyrrolide (MAP) Imido Alkylidene Complexes of Molybdenum and Tungsten That Contain 2,6-Bis(2,5-R2-pyrrolyl)phenoxide (R = i-Pr, Ph) Ligands and an Unsubstituted Metallacyclobutane on Its Way to Losing Ethylene.
• Authors of publication: Reithofer, Michael R.; Dobereiner, Graham E.; Schrock, Richard R.; Müller, Peter
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2489 - 2492
• a: 13.2795 ± 0.0006 Å
• b: 13.6061 ± 0.0006 Å
• c: 14.0913 ± 0.0007 Å
• α: 62.083 ± 0.001°
• β: 81.703 ± 0.001°
• γ: 86.455 ± 0.001°
• Cell volume: 2226.16 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No