Information card for entry 4073869

Structure parameters

• Formula: C31.5 H34 Mo N2 O2
• Calculated formula: C31.5 H30 Mo N2 O2
• Title of publication: A Tungsten Complex with a Bidentate, Hemilabile N-Heterocyclic Carbene Ligand, Facile Displacement of the Weakly Bound W−(CC) Bond, and the Vulnerability of the NHC Ligand toward Catalyst Deactivation during Ketone Hydrogenation
• Authors of publication: Wu, Fan; Dioumaev, Vladimir K.; Szalda, David J.; Hanson, Jonathan; Bullock, R. Morris
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 5079
• a: 8.508 ± 0.0017 Å
• b: 16.515 ± 0.003 Å
• c: 21.351 ± 0.004 Å
• α: 106.97 ± 0.03°
• β: 95.45 ± 0.03°
• γ: 92.94 ± 0.03°
• Cell volume: 2846.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2577
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No