Information card for entry 4076206

Structure parameters

• Formula: C101 H83 Cl O2 P4 Ru2
• Calculated formula: C101 H83 Cl O2 P4 Ru2
• SMILES: [Ru](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#CC#C[Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45.c1ccccc1.c1ccccc1.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: 13.189 ± 0.003 Å
• b: 25.805 ± 0.005 Å
• c: 24.164 ± 0.005 Å
• α: 90°
• β: 90.13 ± 0.03°
• γ: 90°
• Cell volume: 8224 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1045
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No