Information card for entry 7036352

Structure parameters

• Formula: C18 H30 Cl2 O2 P2 Pt S2
• Calculated formula: C18 H30 Cl2 O2 P2 Pt S2
• SMILES: O[P@@](c1sc(C)cc1)(C(C)(C)C)[Pt](Cl)([P@@](O)(c1sc(C)cc1)C(C)(C)C)Cl
• Title of publication: Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.
• Authors of publication: Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17129 - 17142
• a: 7.9939 ± 0.0006 Å
• b: 8.2245 ± 0.0007 Å
• c: 9.6307 ± 0.0008 Å
• α: 106.931 ± 0.008°
• β: 98.445 ± 0.007°
• γ: 99.675 ± 0.007°
• Cell volume: 584.11 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No