Information card for entry 4078773

Structure parameters

• Formula: C52 H18 F25 Mo N O2
• Calculated formula: C52 H18 F25 Mo N O2
• SMILES: [Mo](=CC(C)(C)c1ccccc1)(=Nc1c(F)c(F)c(F)c(F)c1F)(Oc1c(c2c(F)c(F)c(F)c(F)c2F)cccc1c1c(F)c(F)c(F)c(F)c1F)Oc1c(c2c(F)c(F)c(F)c(F)c2F)cccc1c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Pentafluorophenylimido Alkylidene Complexes of Molybdenum and Tungsten
• Authors of publication: Yuan, Jian; Schrock, Richard R.; Müller, Peter; Axtell, Jonathan C.; Dobereiner, Graham E.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4650
• a: 22.0127 ± 0.0011 Å
• b: 15.2586 ± 0.0008 Å
• c: 13.9366 ± 0.0007 Å
• α: 90°
• β: 92.85 ± 0.001°
• γ: 90°
• Cell volume: 4675.3 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0678
• 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