Information card for entry 4109566

Structure parameters

• Formula: C19 H42 Cl O3 P
• Calculated formula: C19 H42 Cl O3 P
• SMILES: [Cl-].[P+](C1CCCCC1)(C1CCCCC1)(C1CCCCC1)C.O.O.O
• Title of publication: Decomposition of Ruthenium Olefin Metathesis Catalysts
• Authors of publication: Soon Hyeok Hong; Anna G. Wenzel; Tina T. Salguero; Michael W. Day; Robert H. Grubbs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7961 - 7968
• a: 9.8774 ± 0.0004 Å
• b: 10.0035 ± 0.0005 Å
• c: 12.77 ± 0.0006 Å
• α: 85.158 ± 0.001°
• β: 74.304 ± 0.001°
• γ: 63.535 ± 0.001°
• Cell volume: 1086.48 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.307
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No