Information card for entry 4074512

Structure parameters

• Formula: C27 H35 Cl5 O4 P2 Pd
• Calculated formula: C27 H35 Cl5 O4 P2 Pd
• SMILES: [Pd]1([P](C(=C([P]1(c1ccccc1)c1ccccc1)C(=O)OC)C(=O)OC)(C(C)(C)C)C(C)(C)C)(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: 8.844 ± 0.003 Å
• b: 11.587 ± 0.005 Å
• c: 17.47 ± 0.007 Å
• α: 90.783 ± 0.009°
• β: 104.471 ± 0.008°
• γ: 109.036 ± 0.009°
• Cell volume: 1629.8 ± 1.1 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: 0.0445
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No