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Information card for entry 1505024
Preview
| Coordinates | 1505024.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | p-CymRuCl2(anthraimid) |
|---|---|
| Formula | C68 H58 B Cl N4 Ru |
| Calculated formula | C68 H58 B Cl N4 Ru |
| SMILES | [Ru]12345(Cl)([n]6cn(cc6)c6c7ccccc7cc7ccccc67)([n]6cn(cc6)c6c7ccccc7cc7ccccc67)[c]6([cH]5[cH]4[c]3([cH]2[cH]16)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Development of ruthenium antitumor drugs that overcome multidrug resistance mechanisms. |
| Authors of publication | Vock, Carsten A.; Ang, Wee Han; Scolaro, Claudine; Phillips, Andrew D.; Lagopoulos, Lucienne; Juillerat-Jeanneret, Lucienne; Sava, Gianni; Scopelliti, Rosario; Dyson, Paul J. |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2007 |
| Journal volume | 50 |
| Journal issue | 9 |
| Pages of publication | 2166 - 2175 |
| a | 10.6994 ± 0.0005 Å |
| b | 29.8522 ± 0.0017 Å |
| c | 18.8571 ± 0.001 Å |
| α | 90° |
| β | 116.835 ± 0.004° |
| γ | 90° |
| Cell volume | 5374.4 ± 0.5 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.1149 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0361 |
| Weighted residual factors for all reflections included in the refinement | 0.0491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.7 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1505024.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505024.cif |
| 45283 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505024, 1505025, 1505026 via cif-deposit CGI script. |
1505024.cif |
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Users of the data should acknowledge the original authors of the
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