Information card for entry 7000072

Structure parameters

• Common name: 1
• Formula: C33 H55 F6 P3 Ru
• Calculated formula: C33 H55 F6 P3 Ru
• SMILES: [Ru]123456([P]([CH]5=[CH2]6)(C5CCCCC5)C5CCCCC5)([P](C=C)(C5CCCCC5)C5CCCCC5)[cH]5[cH]1[cH]2[cH]3[cH]45.[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: 9.6206 ± 0.0004 Å
• b: 23.1706 ± 0.001 Å
• c: 15.5767 ± 0.0007 Å
• α: 90°
• β: 95.203 ± 0.001°
• γ: 90°
• Cell volume: 3458 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No