Information card for entry 7038255

Structure parameters

• Formula: C36 H28 P2 Pt S2
• Calculated formula: C36 H28 P2 Pt S2
• SMILES: [P]1(c2ccccc2)(c2ccccc2)[Pt]2(Sc3c([P]2(c2ccccc2)c2ccccc2)cccc3)Sc2c1cccc2
• 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: 9.7696 ± 0.0008 Å
• b: 12.9072 ± 0.0011 Å
• c: 12.8003 ± 0.0011 Å
• α: 90°
• β: 110.244 ± 0.008°
• γ: 90°
• Cell volume: 1514.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.104
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No