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Information card for entry 2230514
Preview
| Coordinates | 2230514.cif |
|---|---|
| Structure factors | 2230514.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[4-(2-hydroxybenzylideneamino)benzoato-κ<i>O</i>^1^]tetrakis(methanol- κ<i>O</i>)cadmium |
|---|---|
| Formula | C32 H36 Cd N2 O10 |
| Calculated formula | C32 H36 Cd N2 O10 |
| SMILES | [OH](C)[Cd]([OH]C)(OC(=O)c1ccc(cc1)/N=C/c1ccccc1O)(OC(=O)c1ccc(cc1)/N=C/c1ccccc1O)([OH]C)[OH]C |
| Title of publication | Bis[4-(2-hydroxybenzylideneamino)benzoato-κ<i>O</i>^1^]tetrakis(methanol-κ<i>O</i>)cadmium |
| Authors of publication | Wang, Ying; Wang, Xia; Li, Yu-Xian; Yang, Huai-Xia; Liu, Yan-Ju |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m685 - m686 |
| a | 15.564 ± 0.003 Å |
| b | 11.937 ± 0.002 Å |
| c | 8.8946 ± 0.0018 Å |
| α | 90° |
| β | 99.69 ± 0.03° |
| γ | 90° |
| Cell volume | 1628.9 ± 0.6 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0969 |
| Residual factor for significantly intense reflections | 0.0715 |
| Weighted residual factors for significantly intense reflections | 0.1466 |
| Weighted residual factors for all reflections included in the refinement | 0.1662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181227 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/05. |
2230514.cif 2230514.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2230514.cif 2230514.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230514.cif 2230514.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230514.cif 2230514.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230514.cif 2230514.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230514.cif 2230514.hkl |
| 22507 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230514 via cif-deposit CGI script. |
2230514.cif |
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Users of the data should acknowledge the original authors of the
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