Information card for entry 7000073

Structure parameters

• Common name: 2
• Formula: C35 H59 Cl2 F6 P3 Ru
• Calculated formula: C35 H59 Cl2 F6 P3 Ru
• SMILES: [Ru]123456([P]([CH]6=[CH2]5)(C5CCCCC5)C5CCCCC5)([P](C=C)(C5CCCCC5)C5CCCCC5)[c]5([cH]4[cH]3[cH]2[cH]15)C.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• 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: 10.1094 ± 0.0014 Å
• b: 12.8338 ± 0.0014 Å
• c: 17.61 ± 0.002 Å
• α: 101.606 ± 0.011°
• β: 100.011 ± 0.014°
• γ: 113.171 ± 0.011°
• Cell volume: 1974.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No