Information card for entry 4072396

Structure parameters

• Formula: C45 H53 F6 Mo N2 O P
• Calculated formula: C45 H53 F6 Mo N2 O P
• SMILES: [Mo](=CC(C)(C)c1ccccc1)(=Nc1c(C(C)C)cccc1C(C)C)(OC(C)(C(F)(F)F)C(F)(F)F)([P](C)(C)C)n1c(c2ccccc2)ccc1c1ccccc1
• Title of publication: Syntheses and Structures of Molybdenum Imido Alkylidene Pyrrolide and Indolide Complexes
• Authors of publication: Marinescu, Smaranda C.; Singh, Rojendra; Hock, Adam S.; Wampler, Keith M.; Schrock, Richard R.; Müller, Peter
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6570
• a: 13.7643 ± 0.0011 Å
• b: 16.5149 ± 0.0013 Å
• c: 18.7349 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4258.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No