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Information card for entry 2231175
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| Coordinates | 2231175.cif |
|---|---|
| Structure factors | 2231175.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[bis(1<i>H</i>-imidazole-κ<i>N^3^</i>)copper(II)]-μ- benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] |
|---|---|
| Formula | C14 H12 Cu N4 O4 |
| Calculated formula | C14 H12 Cu N4 O4 |
| SMILES | [Cu]([n]1cc[nH]c1)([n]1cc[nH]c1)(OC(=O)c1ccc(cc1)C(=O)[O-])OC(=O)c1ccc(cc1)C(=O)O[Cu]([n]1cc[nH]c1)[n]1cc[nH]c1 |
| Title of publication | <i>catena</i>-Poly[[bis(1<i>H</i>-imidazole-κ<i>N^3^</i>)copper(II)]-μ-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] |
| Authors of publication | Xu, Qian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1014 |
| a | 21.435 ± 0.004 Å |
| b | 5.274 ± 0.0011 Å |
| c | 14.164 ± 0.003 Å |
| α | 90° |
| β | 116.65 ± 0.03° |
| γ | 90° |
| Cell volume | 1431.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181233 (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 2/23/11. |
2231175.cif 2231175.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. |
2231175.cif 2231175.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231175.cif 2231175.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. | 2231175.cif 2231175.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231175.cif 2231175.hkl |
| 27083 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231175 via cif-deposit CGI script. |
2231175.cif |
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Users of the data should acknowledge the original authors of the
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