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Information card for entry 2236521
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| Coordinates | 2236521.cif |
|---|---|
| Structure factors | 2236521.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]- μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] dihydrate] |
|---|---|
| Formula | C16 H16 Cu N2 O8 |
| Calculated formula | C16 H16 Cu N2 O8 |
| SMILES | [Cu]1([n]2ccccc2c2[n]1cccc2)([OH2])OC(=O)c1oc(cc1)C(=O)O[Cu]1([n]2ccccc2c2[n]1cccc2)([OH2])OC(=O)c1oc(cc1)C(=O)[O-].O.O.O.O |
| Title of publication | <i>catena</i>-Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] dihydrate] |
| Authors of publication | Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | m1416 |
| a | 8.8621 ± 0.0018 Å |
| b | 8.9016 ± 0.0018 Å |
| c | 12.523 ± 0.003 Å |
| α | 88.33 ± 0.03° |
| β | 69.31 ± 0.03° |
| γ | 66.85 ± 0.03° |
| Cell volume | 842.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181287 (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 2/23/65. |
2236521.cif 2236521.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. |
2236521.cif 2236521.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236521.cif 2236521.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. | 2236521.cif 2236521.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236521.cif 2236521.hkl |
| 70097 | 2012-12-21 | cif/ Adding structures of 2236521 via cif-deposit CGI script. |
2236521.cif |
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Users of the data should acknowledge the original authors of the
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