Information card for entry 7020756

Structure parameters

• Formula: C24 H45 Cl P2 Pt
• Calculated formula: C24 H45 Cl P2 Pt
• SMILES: [Pt]1([P](Cc2c([P]1(C(C)(C)C)C(C)(C)C)cccc2)(C(C)(C)C)C(C)(C)C)(Cl)C
• 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: 15.9715 ± 0.0007 Å
• b: 20.0553 ± 0.0008 Å
• c: 18.7186 ± 0.0008 Å
• α: 90°
• β: 118.759 ± 0.003°
• γ: 90°
• Cell volume: 5256.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0775
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No