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Information card for entry 2230536
Preview
| Coordinates | 2230536.cif |
|---|---|
| Structure factors | 2230536.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-1,2-Bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>']bis[aqua(pyridine- 2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)] dihydrate |
|---|---|
| Formula | C26 H24 Cu2 N4 O12 |
| Calculated formula | C26 H24 Cu2 N4 O12 |
| SMILES | c12C(=O)O[Cu]3([n]1c(C(=O)O3)ccc2)([n]1ccc(cc1)/C=C/c1cc[n](cc1)[Cu]12([n]3c(cccc3C(=O)O1)C(=O)O2)[OH2])[OH2].O.O |
| Title of publication | [μ-1,2-Bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>']bis[aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)] dihydrate |
| Authors of publication | Lush, Shie Fu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m775 |
| a | 5.2616 ± 0.0005 Å |
| b | 7.9316 ± 0.0007 Å |
| c | 16.8063 ± 0.0014 Å |
| α | 89.183 ± 0.002° |
| β | 84.541 ± 0.002° |
| γ | 72.557 ± 0.002° |
| Cell volume | 666.01 ± 0.1 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 | 0.0609 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1257 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.232 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181227 (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 2/23/05. |
2230536.cif 2230536.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. |
2230536.cif 2230536.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230536.cif 2230536.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. | 2230536.cif 2230536.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230536.cif 2230536.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230536.cif 2230536.hkl |
| 22530 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230536 via cif-deposit CGI script. |
2230536.cif |
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Users of the data should acknowledge the original authors of the
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