Information card for entry 4074510

Structure parameters

• Formula: C27 H35 Cl5 O4 P2 Pt
• Calculated formula: C27 H35 Cl5 O4 P2 Pt
• SMILES: [Pt]1([P](C(=C([P]1(C(C)(C)C)C(C)(C)C)C(=O)OC)C(=O)OC)(c1ccccc1)c1ccccc1)(Cl)Cl.ClC(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: 8.8712 ± 0.0005 Å
• b: 11.635 ± 0.0007 Å
• c: 17.5707 ± 0.001 Å
• α: 90.801 ± 0.001°
• β: 104.334 ± 0.001°
• γ: 108.685 ± 0.001°
• Cell volume: 1655.89 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No