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Information card for entry 1565459
Preview
Coordinates | 1565459.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H17 N3 O2 S |
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Calculated formula | C15 H17 N3 O2 S |
SMILES | S=C(Nc1ccc(N(=O)=O)cc1)c1[nH]c(c(c1C)CC)C |
Title of publication | Pyrrole thioamide complexes of the d8 metals platinum(II), palladium(II) and gold(III) |
Authors of publication | Tang, Haiming; Saunders, Graham C.; Ma, Xiaochuan; Henderson, William |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 502 |
Pages of publication | 119282 |
a | 6.9323 ± 0.0004 Å |
b | 8.524 ± 0.0006 Å |
c | 12.5071 ± 0.0008 Å |
α | 89.096 ± 0.005° |
β | 79.418 ± 0.006° |
γ | 82.735 ± 0.005° |
Cell volume | 720.63 ± 0.08 Å3 |
Cell temperature | 100.05 ± 0.16 K |
Ambient diffraction temperature | 100.05 ± 0.16 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 | 0.0532 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0879 |
Weighted residual factors for all reflections included in the refinement | 0.0946 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0321 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1565459.html
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