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Information card for entry 7014792
Preview
Coordinates | 7014792.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H25 Cl N O2 P Pd S3 |
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Calculated formula | C27 H25 Cl N O2 P Pd S3 |
SMILES | [Pd]12(c3c(C(=[S]2)Nc2ccccc2)cccc3OP(=[S]1)(c1ccccc1)c1ccccc1)Cl.S(=O)(C)C |
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 | 13.7874 ± 0.001 Å |
b | 9.621 ± 0.0007 Å |
c | 21.4447 ± 0.0015 Å |
α | 90° |
β | 107.12 ± 0.001° |
γ | 90° |
Cell volume | 2718.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0321 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0445 |
Weighted residual factors for all reflections included in the refinement | 0.0457 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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