Information card for entry 4085432

Structure parameters

• Formula: C57 H88 Mo N2
• Calculated formula: C57 H88 Mo N2
• SMILES: [Mo](CC(C)(C)C)(CC(C)(C)C)(=NC(C)(C)C)=Nc1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.Cc1ccccc1
• Title of publication: Synthesis of Molybdenum and Tungsten Alkylidene Complexes That Contain the 2,6-Bis(2,4,6-triisopropylphenyl)phenylimido (NHIPT) Ligand
• Authors of publication: Axtell, Jonathan C.; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2110
• a: 11.366 ± 0.002 Å
• b: 13.229 ± 0.003 Å
• c: 18.298 ± 0.003 Å
• α: 88.474 ± 0.004°
• β: 89.275 ± 0.003°
• γ: 72.197 ± 0.003°
• Cell volume: 2618.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No