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Information card for entry 4345325
Preview
| Coordinates | 4345325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17.5 H25 Cl3 Cu2 N4 O5.5 S |
|---|---|
| Calculated formula | C17.5 H25 Cl3 Cu2 N4 O5.5 S |
| SMILES | [Cu]123([Cl][Cu]45(Cl)[O]1c1c(cc(cc1C=[N]2NC(SC)=[NH]3)C)C[N]5(CC(OC)=[O]4)CC(=O)OC)Cl.OC |
| Title of publication | New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity. |
| Authors of publication | Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | 3532 - 3549 |
| a | 9.1026 ± 0.0007 Å |
| b | 21.4679 ± 0.0016 Å |
| c | 24.8549 ± 0.0018 Å |
| α | 90° |
| β | 95.366 ± 0.003° |
| γ | 90° |
| Cell volume | 4835.7 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254024 (current) | 2020-07-06 | cif/4 Fixing Z values and formulae |
4345325.cif |
| 194815 | 2017-04-04 | cif/ Updating files of 4345315, 4345316, 4345317, 4345318, 4345319, 4345320, 4345321, 4345322, 4345323, 4345324, 4345325, 4345326 Original log message: Adding full bibliography for 4345315--4345326.cif. |
4345325.cif |
| 192869 | 2017-03-04 | cif/ Adding structures of 4345321, 4345322, 4345323, 4345324, 4345325, 4345326 via cif-deposit CGI script. |
4345325.cif |
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Users of the data should acknowledge the original authors of the
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