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Information card for entry 1517344
Preview
| Coordinates | 1517344.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H22 Cl Cu N3 O2 |
|---|---|
| Calculated formula | C17 H22 Cl Cu N3 O2 |
| SMILES | [Cu]12(Oc3c(cccc3C=[N]1Nc1[n]2cccc1)C(C)(C)C)Cl.OC |
| Title of publication | Highly cytotoxic DNA-interacting copper(ii) coordination compounds. |
| Authors of publication | Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick |
| Journal of publication | Metallomics : integrated biometal science |
| Year of publication | 2014 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 1853 - 1868 |
| a | 7.9513 ± 0.0004 Å |
| b | 10.1551 ± 0.0005 Å |
| c | 11.4377 ± 0.0005 Å |
| α | 103.368 ± 0.001° |
| β | 96.21 ± 0.001° |
| γ | 100.246 ± 0.001° |
| Cell volume | 873.38 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1601 |
| Weighted residual factors for all reflections included in the refinement | 0.1622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517344.cif |
| 124853 | 2014-10-06 | cif/ Updating files of 1517344, 1517345, 1517346, 1517347, 1517348, 1517349 Original log message: Adding full bibliography for 1517344--1517349.cif. |
1517344.cif |
| 121522 | 2014-08-07 | cif/ Adding structures of 1517344, 1517345, 1517346, 1517347, 1517348, 1517349 via cif-deposit CGI script. |
1517344.cif |
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Users of the data should acknowledge the original authors of the
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