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Information card for entry 2240515
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| Coordinates | 2240515.cif |
|---|---|
| Structure factors | 2240515.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[diaquacadmium(II)]-μ-3,3'-(1,3-phenylene)diacrylato] |
|---|---|
| Formula | C12 H12 Cd O6 |
| Calculated formula | C12 H12 Cd O6 |
| SMILES | [Cd]12([OH2])([OH2])(OC(=O1)/C=C/c1cc(ccc1)/C=C/C(=O)[O-])[O]=C(O2)/C=C/c1cc(ccc1)/C=C/C(=[O]1)O[Cd]1([OH2])[OH2] |
| Title of publication | Crystal structure of <i>catena</i>-poly[[diaquacadmium(II)]-μ-3,3'-(1,3-phenylene)diacrylato] |
| Authors of publication | Zhang, Xiao-Ping; Chen, Xin; Huang, Kun-Lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | m91 - m92 |
| a | 5.3145 ± 0.0012 Å |
| b | 11.991 ± 0.003 Å |
| c | 19.767 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1259.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1492 |
| Weighted residual factors for all reflections included in the refinement | 0.1548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240515.cif 2240515.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240515.cif 2240515.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240515.cif 2240515.hkl |
| 134248 | 2015-03-22 | cif/ hkl/ Adding structures of 2240515 via cif-deposit CGI script. |
2240515.cif 2240515.hkl |
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Users of the data should acknowledge the original authors of the
structural data.