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Information card for entry 2226608
Preview
| Coordinates | 2226608.cif |
|---|---|
| Structure factors | 2226608.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(acetato-κ<i>O</i>)[1,2-bis(2-pyridylmethoxy)benzene- κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']copper(II) tetrahydrate |
|---|---|
| Formula | C22 H29 Cu N2 O10 |
| Calculated formula | C22 H29 Cu N2 O10 |
| SMILES | c1cccc2C[O]3c4ccccc4[O]4Cc5cccc[n]5[Cu]34([n]12)(OC(=O)C)OC(=O)C.O.O.O.O |
| Title of publication | Bis(acetato-κ<i>O</i>)[1,2-bis(2-pyridylmethoxy)benzene-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']copper(II) tetrahydrate |
| Authors of publication | Zhang, Shuang; Wang, Yu-Jie; Ma, Dong-Sheng; Liu, Ying; Gao, Jin-Sheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 7 |
| Pages of publication | m787 |
| a | 8.0192 ± 0.0016 Å |
| b | 11.291 ± 0.002 Å |
| c | 14.117 ± 0.003 Å |
| α | 102.97 ± 0.03° |
| β | 92.69 ± 0.03° |
| γ | 93.7 ± 0.03° |
| Cell volume | 1240.5 ± 0.5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.0656 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1648 |
| Weighted residual factors for all reflections included in the refinement | 0.1688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181187 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/66. |
2226608.cif 2226608.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2226608.cif 2226608.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226608.cif 2226608.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. | 2226608.cif 2226608.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226608.cif 2226608.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2226608.cif 2226608.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226608.cif |
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Users of the data should acknowledge the original authors of the
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