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Information card for entry 7052019
Preview
Coordinates | 7052019.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H11 Cl2 N3 O2 Pd |
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Calculated formula | C16 H11 Cl2 N3 O2 Pd |
SMILES | [Pd]1(Cl)(Cl)[n]2ccccc2n2[n]1c(c1c2c2ccccc2OC1=O)C |
Title of publication | Synthesis, crystal structure, theoretical calculation and cytotoxic effect of new Pt(ii), Pd(ii) and Cu(ii) complexes with pyridine-pyrazoles derivatives |
Authors of publication | Budzisz, Elzbieta; Lorenz, Ingo-Peter; Mayer, Peter; Paneth, Piotr; Szatkowski, Lukasz; Krajewska, Urszula; Rozalski, Marek; Miernicka, Magdalena |
Journal of publication | New Journal of Chemistry |
Year of publication | 2008 |
Journal volume | 32 |
Journal issue | 12 |
Pages of publication | 2238 |
a | 9.5751 ± 0.0002 Å |
b | 24.2068 ± 0.0004 Å |
c | 7.0087 ± 0.0001 Å |
α | 90° |
β | 105.154 ± 0.0008° |
γ | 90° |
Cell volume | 1568.01 ± 0.05 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.047 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.0714 |
Weighted residual factors for all reflections included in the refinement | 0.0782 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7052019.html
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