Information card for entry 4064024

Structure parameters

• Formula: C18 H30 Cl6 P2 Pt
• Calculated formula: C18 H30 Cl6 P2 Pt
• SMILES: [Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)(Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
• Title of publication: Pt(PEt3)(κ2-P,C-PEt2CHMe)(C6Cl5): An Unexpected Intermediate in the Synthesis ofcis-Pt(PEt3)2(Cl)(C6Cl5)
• Authors of publication: Robinson, Robert; Clarkson, Joseph M.; Moody, Morgan A.; Sharp, Paul R.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1730
• a: 8.8591 ± 0.001 Å
• b: 15.4076 ± 0.0017 Å
• c: 18.87 ± 0.002 Å
• α: 90°
• β: 92.796 ± 0.001°
• γ: 90°
• Cell volume: 2572.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No