Information card for entry 7002431

Structure parameters

• Formula: C26 H34 N2 O P2 S2
• Calculated formula: C26 H34 N2 O P2 S2
• SMILES: P(=S)(Oc1cc(P(=S)(c2ccccc2)c2ccccc2)ccc1)(N(CC)CC)N(CC)CC
• Title of publication: 5,6-Membered palladium pincer complexes of 1-thiophosphoryloxy-3-thiophosphorylbenzenes. Synthesis, X-ray structure, and catalytic activity
• Authors of publication: Kozlov, V. A.; Aleksanyan, D. V.; Nelyubina, Yu. V.; Lyssenko, K. A.; Gutsul, E. I.; Vasil'ev, A. A.; Petrovskii, P. V.; Odinets, I. L.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8657 - 8666
• a: 9.125 ± 0.0016 Å
• b: 11.081 ± 0.003 Å
• c: 14.998 ± 0.003 Å
• α: 83.718 ± 0.016°
• β: 78.009 ± 0.016°
• γ: 66.27 ± 0.02°
• Cell volume: 1357.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No