Information card for entry 7038935

Structure parameters

• Formula: C50 H48 O2 P2 Pt S2
• Calculated formula: C50 H48 O2 P2 Pt S2
• SMILES: [Pt]1(SC2C(S1)=C(C(=O)C(=O)C=2C(C)(C)C)C(C)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New sterically-hindered o-quinones annelated with metal-dithiolates: regiospecificity in oxidative addition reactions of a bifacial ligand to the Pd and Pt complexes.
• Authors of publication: Martyanov, K. A.; Cherkasov, V. K.; Abakumov, G. A.; Samsonov, M. A.; Khrizanforova, V. V.; Budnikova, Y. H.; Kuropatov, V. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7400 - 7405
• a: 9.8288 ± 0.0001 Å
• b: 27.6805 ± 0.0003 Å
• c: 16.0758 ± 0.0002 Å
• α: 90°
• β: 98.041 ± 0.001°
• γ: 90°
• Cell volume: 4330.68 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0263
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No