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Information card for entry 2233782
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| Coordinates | 2233782.cif |
|---|---|
| Structure factors | 2233782.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-4,4'-Bipyridine-bis[aqua(4-hydroxypyridine-2,6-dicarboxylato)copper(II)] |
|---|---|
| Formula | C24 H18 Cu2 N4 O12 |
| Calculated formula | C24 H18 Cu2 N4 O12 |
| SMILES | C1(=O)c2cc(cc3C(=O)O[Cu]([n]23)([n]2ccc(c3cc[n](cc3)[Cu]34([n]5c(C(=O)O3)cc(cc5C(=O)O4)O)[OH2])cc2)(O1)[OH2])O |
| Title of publication | μ-4,4'-Bipyridine-bis[aqua(4-hydroxypyridine-2,6-dicarboxylato)copper(II)] |
| Authors of publication | Chen, Xiao-Li; Qiao, Ya-Li; Gao, Lou-Jun; Cui, Hua-Li; Zhang, Mei-Li |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m326 - m327 |
| a | 8.3945 ± 0.0009 Å |
| b | 18.433 ± 0.002 Å |
| c | 7.8686 ± 0.001 Å |
| α | 90° |
| β | 100.044 ± 0.002° |
| γ | 90° |
| Cell volume | 1198.9 ± 0.2 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181259 (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 2/23/37. |
2233782.cif 2233782.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. |
2233782.cif 2233782.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233782.cif 2233782.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. | 2233782.cif 2233782.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233782.cif 2233782.hkl |
| 51032 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233782 via cif-deposit CGI script. |
2233782.cif |
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Users of the data should acknowledge the original authors of the
structural data.