Information card for entry 7038934

Structure parameters

• Formula: C52 H52 O2.5 P2 Pd S2
• Calculated formula: C52 H52 O2.5 P2 Pd S2
• 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: 10.76 ± 0.002 Å
• b: 12.877 ± 0.003 Å
• c: 17.948 ± 0.004 Å
• α: 95.401 ± 0.003°
• β: 99.297 ± 0.003°
• γ: 104.257 ± 0.003°
• Cell volume: 2355.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No