Information card for entry 4074511

Structure parameters

• Formula: C31 H40 Cl4 O4 P2 Pt
• Calculated formula: C31 H40 Cl4 O4 P2 Pt
• SMILES: [Pt]1([P](C(=C([P]1(c1ccccc1)c1ccccc1)C(=O)OC)C(=O)OC)(C1CCCCC1)C1CCCCC1)(Cl)Cl.C(Cl)Cl
• Title of publication: Stereospecific Diphosphination of Activated Acetylenes: A General Route to Backbone-Functionalized, Chelating 1,2-Diphosphinoethenes
• Authors of publication: Dodds, Deborah L.; Haddow, Mairi F.; Orpen, A. Guy; Pringle, Paul G.; Woodward, Gary
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 25
• Pages of publication: 5937
• a: 12.271 ± 0.003 Å
• b: 14.619 ± 0.003 Å
• c: 18.508 ± 0.004 Å
• α: 90°
• β: 93.4 ± 0.03°
• γ: 90°
• Cell volume: 3314.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0518
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No