Information card for entry 7000078

Structure parameters

• Common name: 12
• Formula: C27 H31 F6 N O P2 Ru
• Calculated formula: C27 H31 F6 N O P2 Ru
• SMILES: [Ru]1234([P](C=C)(c5ccccc5)c5ccccc5)([N]#CC)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Phosphaallyl complexes of Ru(II) derived from dicyclohexylvinylphosphine (DCVP).
• Authors of publication: Duraczyńska, Dorota; Nelson, John H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 92 - 103
• a: 13.309 ± 0.004 Å
• b: 14.461 ± 0.004 Å
• c: 15.945 ± 0.005 Å
• α: 90°
• β: 108.71 ± 0.04°
• γ: 90°
• Cell volume: 2906.6 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.171
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No