Information card for entry 7020753

Structure parameters

• Formula: C26 H42 Cl4 O3 P2 Pt
• Calculated formula: C26 H42 Cl4 O3 P2 Pt
• SMILES: [Pt]1([P](Cc2c([P]31[C@@]1(O[C@]4(O[C@](O[C@@]3(C4)C)(C1)C)C)C)cccc2)(C(C)(C)C)C(C)(C)C)(Cl)Cl.C(Cl)Cl.[Pt]1([P](Cc2c([P]31[C@]1(O[C@@]4(O[C@@](O[C@]3(C4)C)(C1)C)C)C)cccc2)(C(C)(C)C)C(C)(C)C)(Cl)Cl.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: 12.461 ± 0.003 Å
• b: 15.187 ± 0.003 Å
• c: 17.334 ± 0.004 Å
• α: 85.45 ± 0.03°
• β: 79.62 ± 0.03°
• γ: 77.63 ± 0.03°
• Cell volume: 3148.9 ± 1.3 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: 0.0558
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No