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Information card for entry 2230090
Preview
| Coordinates | 2230090.cif |
|---|---|
| Structure factors | 2230090.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,2-Bis(pyridin-2-ylmethoxy)benzene- κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N'</i>]dichloridocopper(II) |
|---|---|
| Formula | C18 H16 Cl2 Cu N2 O2 |
| Calculated formula | C18 H16 Cl2 Cu N2 O2 |
| SMILES | c1cccc2C[O]3c4ccccc4[O]4[Cu]3([n]12)(Cl)([n]1ccccc1C4)Cl |
| Title of publication | [1,2-Bis(pyridin-2-ylmethoxy)benzene-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']dichloridocopper(II) |
| Authors of publication | Huang, Nan-Nan; Zhang, Shuang; Liu, Ying; Hou, Guang-Feng; Gao, Jin-Sheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m596 |
| a | 10.624 ± 0.002 Å |
| b | 19.458 ± 0.004 Å |
| c | 8.8063 ± 0.0018 Å |
| α | 90° |
| β | 101.35 ± 0.03° |
| γ | 90° |
| Cell volume | 1784.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0753 |
| Weighted residual factors for all reflections included in the refinement | 0.0805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181222 (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 2/23/00. |
2230090.cif 2230090.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. |
2230090.cif 2230090.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230090.cif 2230090.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. | 2230090.cif 2230090.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230090.cif 2230090.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230090.cif 2230090.hkl |
| 20160 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230090 via cif-deposit CGI script. |
2230090.cif |
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Users of the data should acknowledge the original authors of the
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