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Information card for entry 1517348
Preview
| Coordinates | 1517348.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H32 Cl2 Cu2 N6 O11 |
|---|---|
| Calculated formula | C31 H32 Cl2 Cu2 N6 O11 |
| SMILES | [Cu]1234[n]5c(N[N]4=Cc4c6[O]2[Cu]21([n]1c(N[N]2=Cc6cc(c4)C(C)(C)C)ccc2ccccc12)([OH]3)[OH]C)ccc1ccccc51.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| 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 | 7.629 ± 0.003 Å |
| b | 13.448 ± 0.004 Å |
| c | 17.723 ± 0.005 Å |
| α | 110.693 ± 0.004° |
| β | 97.801 ± 0.004° |
| γ | 94.246 ± 0.004° |
| Cell volume | 1670.6 ± 1 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 | 0.0874 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.2024 |
| Weighted residual factors for all reflections included in the refinement | 0.2123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| 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. |
1517348.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. |
1517348.cif |
| 121522 | 2014-08-07 | cif/ Adding structures of 1517344, 1517345, 1517346, 1517347, 1517348, 1517349 via cif-deposit CGI script. |
1517348.cif |
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Users of the data should acknowledge the original authors of the
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