Information card for entry 7020751

Structure parameters

• Formula: C25 H45 Cl5 P2 Pt
• Calculated formula: C25 H45 Cl5 P2 Pt
• SMILES: [Pt]1([P](Cc2c(C[P]1(C(C)(C)C)C(C)(C)C)cccc2)(C(C)(C)C)C(C)(C)C)(Cl)Cl.C(Cl)(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: 7.4494 ± 0.0002 Å
• b: 22.2352 ± 0.0007 Å
• c: 18.5251 ± 0.0006 Å
• α: 90°
• β: 95.723 ± 0.002°
• γ: 90°
• Cell volume: 3053.18 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1424
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No