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Information card for entry 2233032
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| Coordinates | 2233032.cif |
|---|---|
| Structure factors | 2233032.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[triaquacopper(II)]-μ-2,2'-bipyridine-3,3'-dicarboxylato- κ^3^<i>N</i>,<i>N</i>':<i>O</i>] monohydrate] |
|---|---|
| Formula | C12 H14 Cu N2 O8 |
| Calculated formula | C12 H14 Cu N2 O8 |
| SMILES | [Cu]1([OH2])([OH2])([OH2])([n]2c(c3[n]1cccc3C(=O)[O-])c(ccc2)C(=O)[O-])OC(=O)c1ccc[n]2[Cu]([OH2])([OH2])([OH2])[n]3c(c12)c(ccc3)C(=O)[O-].O.O |
| Title of publication | <i>catena</i>-Poly[[[triaquacopper(II)]-μ-2,2'-bipyridine-3,3'-dicarboxylato-κ^3^<i>N</i>,<i>N</i>':<i>O</i>] monohydrate] |
| Authors of publication | Wu, Qihui; Wang, Fuxiang; Jiang, Nanqing; Cao, Li; Pan, Qinhe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1710 - m1711 |
| a | 9.95 ± 0.004 Å |
| b | 9.161 ± 0.004 Å |
| c | 15.974 ± 0.007 Å |
| α | 90° |
| β | 96.848 ± 0.008° |
| γ | 90° |
| Cell volume | 1445.7 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0909 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1344 |
| Weighted residual factors for all reflections included in the refinement | 0.1531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181252 (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 2/23/30. |
2233032.cif 2233032.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. |
2233032.cif 2233032.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233032.cif 2233032.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. | 2233032.cif 2233032.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233032.cif 2233032.hkl |
| 31926 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233032 via cif-deposit CGI script. |
2233032.cif |
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Users of the data should acknowledge the original authors of the
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