Information card for entry 7020758

Structure parameters

• Formula: C29 H43 Cl3 O6 P2 Pt
• Calculated formula: C29 H43 Cl3 O6 P2 Pt
• SMILES: [Pt]1([P]2(Cc3c([P]41[C@@]1(O[C@]5(O[C@](O[C@@]4(C5)C)(C1)C)C)C)cccc3)[C@]1(O[C@@]3(O[C@@](O[C@]2(C3)C)(C1)C)C)C)(Cl)C.C(Cl)Cl
• Title of publication: Interplay of bite angle and cone angle effects. A comparison between o-C6H4(CH2PR2)(PR'2) and o-C6H4(CH2PR2)(CH2PR'2) as ligands for Pd-catalysed ethene hydromethoxycarbonylation.
• Authors of publication: Fanjul, Tamara; Eastham, Graham; Floure, Joelle; Forrest, Sebastian J. K.; Haddow, Mairi F.; Hamilton, Alex; Pringle, Paul G.; Orpen, A. Guy; Waugh, Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 100 - 115
• a: 10.588 ± 0.004 Å
• b: 14.583 ± 0.005 Å
• c: 11.873 ± 0.004 Å
• α: 90°
• β: 116.01 ± 0.02°
• γ: 90°
• Cell volume: 1647.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 0.778
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No