Information card for entry 4086418

Structure parameters

• Formula: C49.5 H67 F5 Mo N2 O2
• Calculated formula: C49.5 H67 F5 Mo N2 O2
• Title of publication: Molybdenum and Tungsten Alkylidene and Metallacyclobutane Complexes That Contain a Dianionic Biphenolate Pincer Ligand
• Authors of publication: Sues, Peter E.; John, Jeremy M.; Schrock, Richard R.; Müller, Peter
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 758
• a: 10.9212 ± 0.0007 Å
• b: 14.2236 ± 0.0009 Å
• c: 16.894 ± 0.0011 Å
• α: 86.8869 ± 0.0015°
• β: 72.7558 ± 0.0014°
• γ: 73.8698 ± 0.0015°
• Cell volume: 2406.5 ± 0.3 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: 0.0395
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No