Information card for entry 7005051

Structure parameters

• Formula: C40 H35 Cl2 N O P2 Pt Si
• Calculated formula: C40 H35 Cl2 N O P2 Pt Si
• SMILES: [Pt]1(Cl)(Cl)[P](c2cccc3[Si](c4c(Oc23)c([P]1(c1ccccc1)c1ccccc1)ccc4)(C)C)(c1ccccc1)c1ccccc1.N#CC
• Title of publication: Platinum-catalyzed hydroformylation of terminal and internal octenes.
• Authors of publication: van Duren, Ruben; van der Vlugt, Jarl Ivar; Kooijman, Huub; Spek, Anthony L.; Vogt, Dieter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 10
• Pages of publication: 1053 - 1059
• a: 19.2417 ± 0.001 Å
• b: 18.0033 ± 0.0012 Å
• c: 21.9848 ± 0.0014 Å
• α: 90°
• β: 105.376 ± 0.01°
• γ: 90°
• Cell volume: 7343.2 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.0384
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No