Information card for entry 4076241

Structure parameters

• Formula: C57 H56 N2 P2 Ru
• Calculated formula: C57 H56 N2 P2 Ru
• SMILES: [RuH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)=C2N(CCN2c2c(cc(cc2C)C)C)c2c(cc(cc2C1)C)C
• Title of publication: Coordinatively Unsaturated Hydridoruthenium(II) Complexes of N-Heterocyclic Carbenes
• Authors of publication: Abdur-Rashid, Kamaluddin; Fedorkiw, Terry; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 86
• a: 11.235 ± 0.0002 Å
• b: 11.6468 ± 0.0002 Å
• c: 18.6606 ± 0.0004 Å
• α: 80.145 ± 0.001°
• β: 78.027 ± 0.001°
• γ: 86.1 ± 0.001°
• Cell volume: 2352.07 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0397
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No