Information card for entry 7038254

Structure parameters

• Formula: C37 H30 Cl2 P2 Pt S2
• Calculated formula: C37 H30 Cl2 P2 Pt S2
• SMILES: [Pt]12(Sc3c(cccc3)[P]1(c1ccccc1)c1ccccc1)Sc1c(cccc1)[P]2(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Platinum phosphinothiolato hydride complexes: synthesis, structure and evaluation as tin-free hydroformylation catalysts.
• Authors of publication: Real, Julio; Prat-Gil, Esther; Pagès-Barenys, Montserrat; Polo, Alfonso; Piniella, Joan F.; Álvarez-Larena, Ángel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3964 - 3973
• a: 15.528 ± 0.01 Å
• b: 9.512 ± 0.005 Å
• c: 22.462 ± 0.011 Å
• α: 90°
• β: 91.97 ± 0.05°
• γ: 90°
• Cell volume: 3316 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No