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Information card for entry 2230814
Preview
| Coordinates | 2230814.cif |
|---|---|
| Structure factors | 2230814.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[zinc(II)-bis[μ~2~-3-(3-pyridyl)benzoato]- κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>] |
|---|---|
| Formula | C24 H16 N2 O4 Zn |
| Calculated formula | C24 H16 N2 O4 Zn |
| SMILES | [Zn]1OC(=O)c2cc(ccc2)c2c[n](ccc2)[Zn](OC(=O)c2cccc(c2)c2c[n]1ccc2)(n1cccc(c1)c1cc(C(=O)[O-])ccc1)OC(=O)c1cc(ccc1)c1cnccc1 |
| Title of publication | <i>catena</i>-Poly[zinc(II)-bis[μ~2~-3-(3-pyridyl)benzoato]-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>] |
| Authors of publication | Tang, Long; Wu, Ya-Pan; Fu, Feng; Hou, Xiang-Yang; Wei, Qing-Bo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m894 |
| a | 10.0512 ± 0.0008 Å |
| b | 12.0809 ± 0.001 Å |
| c | 17.4872 ± 0.0014 Å |
| α | 90° |
| β | 105.631 ± 0.001° |
| γ | 90° |
| Cell volume | 2044.9 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0842 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181230 (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 2/23/08. |
2230814.cif 2230814.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. |
2230814.cif 2230814.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230814.cif 2230814.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. | 2230814.cif 2230814.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230814.cif 2230814.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230814.cif 2230814.hkl |
| 23132 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230814 via cif-deposit CGI script. |
2230814.cif |
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Users of the data should acknowledge the original authors of the
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