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Information card for entry 2234484
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| Coordinates | 2234484.cif |
|---|---|
| Structure factors | 2234484.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[triaquacopper(II)]-μ~2~-furan-2,5-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^] |
|---|---|
| Formula | C6 H8 Cu O8 |
| Calculated formula | C6 H8 Cu O8 |
| SMILES | [Cu](OC(=O)c1oc(cc1)C(=O)[O-])([OH2])([OH2])([OH2])[O]=C(O[Cu]([OH2])([OH2])[OH2])c1oc(cc1)C(=O)[O-] |
| Title of publication | <i>catena</i>-Poly[[triaquacopper(II)]-μ~2~-furan-2,5-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^] |
| Authors of publication | Li, Ya-Feng; Gao, Yue; Xu, Yue; Qin, Xiao-lin; Gao, Wen-Yuan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m445 |
| a | 7.0559 ± 0.0014 Å |
| b | 15.04 ± 0.003 Å |
| c | 8.1578 ± 0.0016 Å |
| α | 90° |
| β | 93.92 ± 0.03° |
| γ | 90° |
| Cell volume | 863.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181266 (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 2/23/44. |
2234484.cif 2234484.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2234484.cif 2234484.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234484.cif 2234484.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. | 2234484.cif 2234484.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234484.cif 2234484.hkl |
| 55762 | 2012-05-05 | cif/ Adding structures of 2234484 via cif-deposit CGI script. |
2234484.cif |
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Users of the data should acknowledge the original authors of the
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