Information card for entry 7014790

Structure parameters

• Formula: C25 H21 N2 P S2
• Calculated formula: C25 H21 N2 P S2
• SMILES: P(=S)(Nc1cc(ccc1)C(=S)Nc1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, catalytic activity, and photophysical properties of 5,6-membered Pd and Pt SCS'-pincer complexes based on thiophosphorylated 3-amino(hydroxy)benzoic acid thioanilides.
• Authors of publication: Aleksanyan, D. V.; Kozlov, V. A.; Nelyubina, Y. V.; Lyssenko, K. A.; Puntus, L. N.; Gutsul, E. I.; Shepel, N. E.; Vasil'ev, A. A.; Petrovskii, P. V.; Odinets, I. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 1535 - 1546
• a: 8.6678 ± 0.0014 Å
• b: 9.4087 ± 0.0015 Å
• c: 13.727 ± 0.002 Å
• α: 77.734 ± 0.003°
• β: 87.897 ± 0.004°
• γ: 87.815 ± 0.004°
• Cell volume: 1092.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0922
• 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