Information card for entry 4076242

Structure parameters

• Formula: C47 H52 N2 P2 Ru
• Calculated formula: C47 H52 N2 P2 Ru
• SMILES: [RuH2]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)=C2N(C=CN2C(C)(C)C)C(C)(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: 9.1155 ± 0.0001 Å
• b: 10.3552 ± 0.0001 Å
• c: 12.5275 ± 0.0002 Å
• α: 106.318 ± 0.001°
• β: 111.09 ± 0.001°
• γ: 95.128 ± 0.001°
• Cell volume: 1034.62 ± 0.03 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No