Information card for entry 7114961

Structure parameters

• Formula: C38 H48 Cl4 P2 Pt
• Calculated formula: C38 H48 Cl4 P2 Pt
• SMILES: [Pt]1([P](C[P]1(c1c(cccc1)C(C)C)c1c(cccc1)C(C)C)(c1c(cccc1)C(C)C)c1c(cccc1)C(C)C)(Cl)Cl.ClCCl
• Title of publication: Steric activation of chelate catalysts: efficient polyketone catalysts based on four-membered palladium(ii) diphosphine chelates
• Authors of publication: Dossett, Stephen J.; Wass, Duncan F.; Jones, Matthew D.; Gillon, Amy; Orpen, A. Guy; Fleming, James S.; Pringle, Paul G.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 699
• a: 12.942 ± 0.002 Å
• b: 12.338 ± 0.002 Å
• c: 23.711 ± 0.007 Å
• α: 90°
• β: 98.64 ± 0.02°
• γ: 90°
• Cell volume: 3743.2 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No