Information card for entry 4076205

Structure parameters

• Formula: C48 H38 O2 P2 Ru
• Calculated formula: C48 H38 O2 P2 Ru
• SMILES: [RuH]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#CC#C.c1ccccc1
• Title of publication: A Bimetallic Complex Spanned by the C4H Ligand: Synthesis of [Cl(CO)2L2RuC⋮CCHCRuL2(η-C5H5)]PF6(L = PPh3)
• Authors of publication: Bartlett, Michael J.; Hill, Anthony F.; Smith, Matthew K.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5795
• a: 10.01 ± 0.002 Å
• b: 13.52 ± 0.003 Å
• c: 15.669 ± 0.003 Å
• α: 100.96 ± 0.03°
• β: 93.85 ± 0.03°
• γ: 106.4 ± 0.03°
• Cell volume: 1980.7 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No