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Information card for entry 2233697
Preview
| Coordinates | 2233697.cif |
|---|---|
| Structure factors | 2233697.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(μ~3~-4- sulfonatobenzene-1,2-dicarboxylato- κ^4^<i>O</i>^1^:<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^4^)erbium(III)] dihydrate] |
|---|---|
| Formula | C20 H19 Er N2 O11 S |
| Calculated formula | C20 H19 Er N2 O11 S |
| Title of publication | Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(μ~3~-4-sulfonatobenzene-1,2-dicarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^4^)erbium(III)] dihydrate] |
| Authors of publication | Zhang, Kou-Lin; Lin, Jian-Guo; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m226 |
| a | 14.3924 ± 0.0001 Å |
| b | 9.6206 ± 0.0002 Å |
| c | 17.4245 ± 0.0003 Å |
| α | 90° |
| β | 105.84 ± 0.001° |
| γ | 90° |
| Cell volume | 2321.04 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0401 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181258 (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 2/23/36. |
2233697.cif 2233697.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. |
2233697.cif 2233697.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233697.cif 2233697.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. | 2233697.cif 2233697.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233697.cif 2233697.hkl |
| 38511 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233697 via cif-deposit CGI script. |
2233697.cif |
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Users of the data should acknowledge the original authors of the
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