Information card for entry 7006893

Structure parameters

• Formula: C54 H66 P Ru S3
• Calculated formula: C54 H66 P Ru S3
• Title of publication: Substituent dependence of the reactions of [RuCl2(PPh3)3] with bulky aromatic thiols.
• Authors of publication: Bishop, Peter T.; Cowley, Andrew R.; Dilworth, Jonathan R.; Saunders, Andrew J.; Woollard-Shore, John G
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 10
• Pages of publication: 1267 - 1270
• a: 12.2271 ± 0.0002 Å
• b: 12.4745 ± 0.0002 Å
• c: 18.4853 ± 0.0002 Å
• α: 94.682 ± 0.0006°
• β: 106.81 ± 0.0006°
• γ: 110.9 ± 0.0006°
• Cell volume: 2467.02 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.0315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No