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Information card for entry 1505042
Preview
| Coordinates | 1505042.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (hapto^6^-p-Cymene){9-nitro-6-[(alpha-picolyl-kappaN)imino-kappaN]-7,12- dihydroindolo[3,2-d][1]benzazepine}chloroosmium(II) chloride ethanol water solvate |
|---|---|
| Formula | C35.9 H42.95 Cl2 N5 O4.08 Os |
| Calculated formula | C35.9 H41.75 Cl2 N5 O4.2 Os |
| Title of publication | Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy. |
| Authors of publication | Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K. |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2007 |
| Journal volume | 50 |
| Journal issue | 25 |
| Pages of publication | 6343 - 6355 |
| a | 12.2836 ± 0.0004 Å |
| b | 12.6756 ± 0.0004 Å |
| c | 14.2592 ± 0.0006 Å |
| α | 95.491 ± 0.002° |
| β | 107.998 ± 0.002° |
| γ | 118.072 ± 0.002° |
| Cell volume | 1784.59 ± 0.12 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 | 0.0373 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.0626 |
| Weighted residual factors for all reflections included in the refinement | 0.0655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1505042.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505042.cif |
| 45299 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505042 via cif-deposit CGI script. |
1505042.cif |
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Users of the data should acknowledge the original authors of the
structural data.