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Information card for entry 2227879
Preview
| Coordinates | 2227879.cif |
|---|---|
| Structure factors | 2227879.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aquapyridinezinc(II)]-μ~2~-3,3'-(<i>p</i>-\ phenylene)diacrylato] pyridine solvate] |
|---|---|
| Formula | C22 H20 N2 O5 Zn |
| Calculated formula | C22 H20 N2 O5 Zn |
| SMILES | [Zn]13([n]4ccccc4)([O]=C(O1)/C=C/c1ccc(/C=C/C(=O)[O-])cc1)([OH2])[O]=C(/C=C/c1ccc(cc1)/C=C/C(=[O]1)O[Zn]1([OH2])[n]1ccccc1)O3.c1ncccc1.c1ncccc1 |
| Title of publication | <i>catena</i>-Poly[[[aquapyridinezinc(II)]-μ~2~-3,3'-(<i>p</i>-phenylene)diacrylato] pyridine solvate] |
| Authors of publication | Su, Dongpo; Song, Desheng; Fu, Zhiyong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1163 |
| a | 10.2132 ± 0.0015 Å |
| b | 17.375 ± 0.003 Å |
| c | 12.8144 ± 0.0019 Å |
| α | 90° |
| β | 112.36 ± 0.002° |
| γ | 90° |
| Cell volume | 2103 ± 0.6 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0482 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181199 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/78. |
2227879.cif 2227879.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2227879.cif 2227879.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227879.cif 2227879.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. | 2227879.cif 2227879.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227879.cif 2227879.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227879.cif 2227879.hkl |
| 4916 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227879 via cif-deposit CGI script. |
2227879.cif |
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Users of the data should acknowledge the original authors of the
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