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Information card for entry 2228118
Preview
| Coordinates | 2228118.cif |
|---|---|
| Structure factors | 2228118.hkl |
| Original IUCr paper | HTML |
| Chemical name | [2,6-Bis(<i>p</i>-tolyliminomethyl)pyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']dichloridocopper(II) |
|---|---|
| Formula | C21 H19 Cl2 Cu N3 |
| Calculated formula | C21 H19 Cl2 Cu N3 |
| SMILES | [n]12[Cu]3([N](=Cc1cccc2C=[N]3c1ccc(cc1)C)c1ccc(cc1)C)(Cl)Cl |
| Title of publication | [2,6-Bis(<i>p</i>-tolyliminomethyl)pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']dichloridocopper(II) |
| Authors of publication | Li, Xiao-Ping; Zhao, Jian-She; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1297 |
| a | 11.522 ± 0.0013 Å |
| b | 35.522 ± 0.004 Å |
| c | 9.327 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3817.4 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.034 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181202 (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 2/22/81. |
2228118.cif 2228118.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. |
2228118.cif 2228118.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228118.cif 2228118.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. | 2228118.cif 2228118.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228118.cif 2228118.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228118.cif 2228118.hkl |
| 5155 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228118 via cif-deposit CGI script. |
2228118.cif |
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Users of the data should acknowledge the original authors of the
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