Information card for entry 7000075

Structure parameters

• Common name: 9
• Formula: C28 H52 F12 P4
• Calculated formula: C28 H52 F12 P4
• SMILES: C1(CCCCC1)[P+]1(C2CCCCC2)CC[P+](C2CCCCC2)(C2CCCCC2)CC1.[P](F)(F)(F)(F)(F)[F-].[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: 7.934 ± 0.007 Å
• b: 12.17 ± 0.02 Å
• c: 17.83 ± 0.04 Å
• α: 90°
• β: 100.6 ± 0.14°
• γ: 90°
• Cell volume: 1692 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No