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Information card for entry 4517387
Preview
Coordinates | 4517387.cif |
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Original paper (by DOI) | HTML |
Formula | C9 H14 N6 O2 S |
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Calculated formula | C9 H14 N6 O2 S |
SMILES | S=C(N/N=C(/Cn1c(ncc1N(=O)=O)C)C)NC |
Title of publication | Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions. |
Authors of publication | Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa |
Journal of publication | ACS omega |
Year of publication | 2020 |
Journal volume | 5 |
Journal issue | 6 |
Pages of publication | 2939 - 2946 |
a | 8.1536 ± 0.0004 Å |
b | 8.732 ± 0.0006 Å |
c | 9.8349 ± 0.0005 Å |
α | 89.139 ± 0.005° |
β | 81.378 ± 0.004° |
γ | 68.29 ± 0.006° |
Cell volume | 642.57 ± 0.07 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.086 |
Residual factor for significantly intense reflections | 0.0659 |
Weighted residual factors for significantly intense reflections | 0.1718 |
Weighted residual factors for all reflections included in the refinement | 0.196 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
248692 (current) | 2020-03-04 | cif/ Updating files of 4517386, 4517387 Original log message: Adding full bibliography for 4517386--4517387.cif. |
4517387.cif |
247917 | 2020-02-07 | cif/ Adding structures of 4517387 via cif-deposit CGI script. |
4517387.cif |
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Users of the data should acknowledge the original authors of the
structural data.