Information card for entry 7012387

Structure parameters

• Common name: 8
• Formula: C36 H35 Cl2 F6 O P3 Ru
• Calculated formula: C36 H35 Cl2 F6 O P3 Ru
• SMILES: [Ru]1234([P](C=C)(c5ccccc5)c5ccccc5)([P](C=C)(c5ccccc5)c5ccccc5)([c]5([cH]1[cH]2[cH]3[cH]45)C)C#[O].[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Diphenylvinylphosphine (DPVP) complexes containing the (η5-MeC5H4)Ru(ii) moiety: synthesis, characterization and reactions
• Authors of publication: Duraczyńska, Dorota; Nelson, John H.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 449 - 457
• a: 9.464 ± 0.002 Å
• b: 10.951 ± 0.004 Å
• c: 18.964 ± 0.007 Å
• α: 90.68 ± 0.04°
• β: 103.09 ± 0.03°
• γ: 101.3 ± 0.03°
• Cell volume: 1874 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2121
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.2904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No