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Information card for entry 7216327
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| Coordinates | 7216327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (bis(iodo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 12, RT dataset, 12a) |
|---|---|
| Chemical name | [bis(iodo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 12, RT dataset, 12a) |
| Formula | C12 H14 Cd I2 N2 |
| Calculated formula | C12 H14 Cd I2 N2 |
| SMILES | [Cd](I)(I)([n]1cc(ccc1)C)[n]1cc(ccc1)C |
| Title of publication | Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands |
| Authors of publication | Hu, Chunhua; Li, Qi; Englert, Ulli |
| Journal of publication | CrystEngComm |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 94 |
| Pages of publication | 519 |
| a | 9.6737 ± 0.0015 Å |
| b | 15.49 ± 0.002 Å |
| c | 11.392 ± 0.0019 Å |
| α | 90° |
| β | 100.329 ± 0.003° |
| γ | 90° |
| Cell volume | 1679.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180494 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/63. |
7216327.cif |
| 115366 | 2014-06-03 | cif/ Adding structures of 7216315, 7216316, 7216317, 7216318, 7216319, 7216320, 7216321, 7216322, 7216323, 7216324, 7216325, 7216326, 7216327, 7216328, 7216329, 7216330, 7216331, 7216332, 7216333, 7216334, 7216335, 7216336, 7216337, 7216338, 7216339, 7216340 via cif-deposit CGI script. |
7216327.cif |
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Users of the data should acknowledge the original authors of the
structural data.