Information card for entry 4076114

Structure parameters

• Formula: C51 H55 Cl N2 P2 Ru
• Calculated formula: C51 H55 Cl N2 P2 Ru
• SMILES: [RuH](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(C=CN1C1CCCCC1)C1CCCCC1
• 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: 9.737 ± 0.0002 Å
• b: 13.1 ± 0.0004 Å
• c: 19.075 ± 0.0005 Å
• α: 75.405 ± 0.001°
• β: 86.082 ± 0.001°
• γ: 69.051 ± 0.001°
• Cell volume: 2198.31 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0801
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No