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Information card for entry 2230266
Preview
| Coordinates | 2230266.cif |
|---|---|
| Structure factors | 2230266.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaquabis(2,6-dihydroxybenzoato-κ<i>O</i>^1^)(2,6-dihydroxybenzoato- κ^2^<i>O</i>^1^,<i>O</i>^1'^)gadolinium(III) dihydrate |
|---|---|
| Formula | C21 H27 Gd O18 |
| Calculated formula | C21 H27 Gd O18 |
| SMILES | C(=O)(c1c(cccc1O)O)O[Gd]1([O]=C(c2c(cccc2O)O)O1)(OC(=O)c1c(cccc1O)O)([OH2])([OH2])([OH2])[OH2].O.O |
| Title of publication | Tetraaquabis(2,6-dihydroxybenzoato-κ<i>O</i>^1^)(2,6-dihydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)gadolinium(III) dihydrate |
| Authors of publication | Wang, Juangang; Zhang, Jun; Chen, Tiedan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m698 |
| a | 10.7666 ± 0.0004 Å |
| b | 11.3289 ± 0.0004 Å |
| c | 12.4741 ± 0.0004 Å |
| α | 82.27 ± 0.001° |
| β | 73.066 ± 0.001° |
| γ | 68.178 ± 0.001° |
| Cell volume | 1350.65 ± 0.08 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0255 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.0505 |
| Weighted residual factors for all reflections included in the refinement | 0.0524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181224 (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 2/23/02. |
2230266.cif 2230266.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230266.cif 2230266.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230266.cif 2230266.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. | 2230266.cif 2230266.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230266.cif 2230266.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230266.cif 2230266.hkl |
| 22237 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230266 via cif-deposit CGI script. |
2230266.cif |
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Users of the data should acknowledge the original authors of the
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