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Information card for entry 1542457
Preview
| Coordinates | 1542457.cif |
|---|---|
| Structure factors | 1542457.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(acetato-κ<i>O</i>)bis{2-[4-(pyridin-2-yl)phenyl]-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>'}cadmium(II) |
|---|---|
| Formula | C52 H36 Cd N10 O4 |
| Calculated formula | C52 H36 Cd N10 O4 |
| SMILES | [Cd]12(OC(=O)C)(OC(=O)C)([n]3cccc4c3c3[n]1cccc3c1[nH]c(nc41)c1ccc(cc1)c1ncccc1)[n]1cccc3c1c1[n]2cccc1c1[nH]c(nc31)c1ccc(cc1)c1ncccc1 |
| Title of publication | Bis(acetato-κ<i>O</i>)bis{2-[4-(pyridin-2-yl)phenyl]-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>'}cadmium(II) |
| Authors of publication | Guo, Lei-Qun; Jiang, Yin-Hua |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | x160063 |
| a | 9.2984 ± 0.0012 Å |
| b | 9.3261 ± 0.0014 Å |
| c | 12.5747 ± 0.0016 Å |
| α | 107.16 ± 0.002° |
| β | 103.719 ± 0.003° |
| γ | 96.55 ± 0.002° |
| Cell volume | 992.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0555 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Weighted residual factors for all reflections included in the refinement | 0.1224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542457.cif 1542457.hkl |
| 177504 | 2016-03-04 | cif/ Updating files of 1542457 Original log message: Adding full bibliography for 1542457.cif. |
1542457.cif 1542457.hkl |
| 176753 | 2016-02-19 | cif/1/54/ Fixing paper titles for structures from IUCrData journal. |
1542457.cif 1542457.hkl |
| 176513 | 2016-02-17 | cif/ hkl/ Adding structures of 1542457 via cif-deposit CGI script. |
1542457.cif 1542457.hkl |
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Users of the data should acknowledge the original authors of the
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