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Information card for entry 2225872
Preview
| Coordinates | 2225872.cif |
|---|---|
| Structure factors | 2225872.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Dimethylformamide-κ<i>O</i>)[2-methoxy-6-(2- pyridylmethyliminomethyl)phenolato- κ^3^<i>N</i>,<i>N</i>,<i>O</i>^1^](thiocyanato-κ<i>N</i>)copper(II) |
|---|---|
| Formula | C18 H20 Cu N4 O3 S |
| Calculated formula | C18 H20 Cu N4 O3 S |
| Title of publication | (Dimethylformamide-κ<i>O</i>)[2-methoxy-6-(2-pyridylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^](thiocyanato-κ<i>N</i>)copper(II) |
| Authors of publication | Bao, Qianqian; Chen, Xiaodan; Rong, Rong; Shi, Feifei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 5 |
| Pages of publication | m563 |
| a | 8.6768 ± 0.0009 Å |
| b | 10.931 ± 0.0011 Å |
| c | 11.0689 ± 0.0012 Å |
| α | 83.251 ± 0.002° |
| β | 72.023 ± 0.001° |
| γ | 79.53 ± 0.001° |
| Cell volume | 979.84 ± 0.18 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0522 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0799 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181179 (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 2/22/58. |
2225872.cif 2225872.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. |
2225872.cif 2225872.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225872.cif 2225872.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. | 2225872.cif 2225872.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225872.cif 2225872.hkl |
| 1208 | 2010-06-08 | hkl/2/ Adding Fobs data for the most recent Acta Cryst. deposition. |
2225872.cif 2225872.hkl |
| 1197 | 2010-06-06 | cif/2/ Adding data from the Acta-Cryst-E-2010_05 processing directory. |
2225872.cif |
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Users of the data should acknowledge the original authors of the
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