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Information card for entry 8101806
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| Coordinates | 8101806.cif |
|---|---|
| External links | PubChem |
| Chemical name | aqua(2,2'-bipyridine-N,N')bis(3-hydroxy-trans-cinnamato-O,O')cadmium(II) |
|---|---|
| Formula | C28 H24 Cd N2 O7 |
| Calculated formula | C28 H24 Cd N2 O7 |
| SMILES | [Cd]123([O]=C(O1)/C=C/c1cc(O)ccc1)([O]=C(\C=C/c1cc(O)ccc1)O2)([OH2])[n]1ccccc1c1[n]3cccc1 |
| Title of publication | Crystal structure of aqua(2,2'-bipyridine-N,N')bis(3-hydroxy-trans- cinnamato-O,O')cadmium(II), Cd(H~2~O)(C~10~H~8~N~2~)(C~9~H~7~O~3~)~2~ |
| Authors of publication | Cheng, Y.-Q.; Cai, X.-Q.; Hu, M.-L. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 390 - 392 |
| a | 8.688 ± 0.0008 Å |
| b | 18.893 ± 0.0016 Å |
| c | 15.5853 ± 0.0014 Å |
| α | 90° |
| β | 99.199 ± 0.002° |
| γ | 90° |
| Cell volume | 2525.3 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1445 |
| Residual factor for significantly intense reflections | 0.1131 |
| Weighted residual factors for significantly intense reflections | 0.1821 |
| Weighted residual factors for all reflections included in the refinement | 0.194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.282 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101806.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101806.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101806.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101806.cif |
| 12545 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101806 via cif-deposit CGI script. |
8101806.cif |
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