Information card for entry 4076113

Structure parameters

• Formula: C53 H57 Cl3 N2 O P2 Ru
• Calculated formula: C53 H57 Cl3 N2 O P2 Ru
• Title of publication: Ruthenium Hydride Complexes of 1,2-Dicyclohexylimidazol-2-ylidene
• Authors of publication: Burling, Suzanne; Kociok-Köhn, Gabriele; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5868
• a: 12.452 ± 0.0001 Å
• b: 22.015 ± 0.0001 Å
• c: 18.472 ± 0.0001 Å
• α: 90°
• β: 108.387 ± 0.001°
• γ: 90°
• Cell volume: 4805.23 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No