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Information card for entry 7015049
Preview
| Coordinates | 7015049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H38 Cu N4 O9 |
|---|---|
| Calculated formula | C36 H38 Cu N4 O9 |
| SMILES | [Cu]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)OC(=O)c1c(cccc1)C(=O)[O-].CCO.CCO.O.O.O |
| Title of publication | Bis-phenanthroline copper(II) phthalate complexes are potent in vitro antitumour agents with 'self-activating' metallo-nuclease and DNA binding properties. |
| Authors of publication | Kellett, Andrew; O'Connor, Mark; McCann, Malachy; McNamara, Mary; Lynch, Patrick; Rosair, Georgina; McKee, Vickie; Creaven, Bernie; Walsh, Maureen; McClean, Siobhan; Foltyn, Agnieszka; O'Shea, Denis; Howe, Orla; Devereux, Michael |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 5 |
| Pages of publication | 1024 - 1027 |
| a | 11.335 ± 0.006 Å |
| b | 12.183 ± 0.006 Å |
| c | 14.539 ± 0.007 Å |
| α | 113.97 ± 0.02° |
| β | 92.95 ± 0.03° |
| γ | 108.81 ± 0.03° |
| Cell volume | 1697.5 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0543 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179854 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/50. |
7015049.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015049.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015049.cif |
| 14919 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7015049, 7015050, 7015051 via cif-deposit CGI script. |
7015049.cif |
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