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Information card for entry 2234378
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| Coordinates | 2234378.cif |
|---|---|
| Structure factors | 2234378.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(methacrylato-κ<i>O</i>)bis(2,4,6-trimethylpyridine-κ<i>N</i>)copper(II) |
|---|---|
| Formula | C24 H32 Cu N2 O4 |
| Calculated formula | C24 H32 Cu N2 O4 |
| SMILES | c1(cc(cc(C)[n]1[Cu](OC(=O)C(=C)C)([n]1c(cc(cc1C)C)C)OC(=O)C(=C)C)C)C |
| Title of publication | Bis(methacrylato-κ<i>O</i>)bis(2,4,6-trimethylpyridine-κ<i>N</i>)copper(II) |
| Authors of publication | Ejaz; Khan, Islam Ullah; Murtaza, Alina; Harrison, William T. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m469 - m470 |
| a | 8.2295 ± 0.0002 Å |
| b | 17.0921 ± 0.0006 Å |
| c | 9.1683 ± 0.0003 Å |
| α | 90° |
| β | 109.22 ± 0.001° |
| γ | 90° |
| Cell volume | 1217.73 ± 0.07 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 | 0.0423 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181265 (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 2/23/43. |
2234378.cif 2234378.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. |
2234378.cif 2234378.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234378.cif 2234378.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. | 2234378.cif 2234378.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234378.cif 2234378.hkl |
| 55651 | 2012-05-05 | cif/ Adding structures of 2234378 via cif-deposit CGI script. |
2234378.cif |
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Users of the data should acknowledge the original authors of the
structural data.