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Information card for entry 4110261
Preview
| Coordinates | 4110261.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H23 Cl2 N3 Pd |
|---|---|
| Calculated formula | C19 H23 Cl2 N3 Pd |
| SMILES | [Pd](Cl)(Cl)([n]1ccccc1)=C1N(C=CN1Cc1ccccc1)C(C)(C)C |
| Title of publication | Anticancer and Antimicrobial Metallopharmaceutical Agents Based on Palladium, Gold, and Silver N-Heterocyclic Carbene Complexes |
| Authors of publication | Sriparna Ray; Renu Mohan; Jay K. Singh; Manoja K. Samantaray; Mobin M. Shaikh; Dulal Panda; Prasenjit Ghosh |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 15042 - 15053 |
| a | 13.3056 ± 0.0003 Å |
| b | 10.0597 ± 0.0003 Å |
| c | 15.6576 ± 0.0003 Å |
| α | 90° |
| β | 104.898 ± 0.002° |
| γ | 90° |
| Cell volume | 2025.33 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0277 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for significantly intense reflections | 0.0563 |
| Weighted residual factors for all reflections included in the refinement | 0.059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178873 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/02. |
4110261.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110261.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110261.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110261.cif |
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Users of the data should acknowledge the original authors of the
structural data.