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Information card for entry 2237032
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| Coordinates | 2237032.cif |
|---|---|
| Structure factors | 2237032.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido(4-methylpyridin-2-amine-κ<i>N</i>^1^)(2-{[(4-methylpyridin-2- yl)imino-κ<i>N</i>]methyl}phenolato-κ<i>O</i>)copper(II) |
|---|---|
| Formula | C19 H19 Cl Cu N4 O |
| Calculated formula | C19 H19 Cl Cu N4 O |
| SMILES | [Cu]12(Cl)(Oc3c(cccc3)C=[N]2c2[n]1ccc(c2)C)[n]1c(N)cc(cc1)C |
| Title of publication | Chlorido(4-methylpyridin-2-amine-κ<i>N</i>^1^)(2-{[(4-methylpyridin-2-yl)imino-κ<i>N</i>]methyl}phenolato-κ<i>O</i>)copper(II) |
| Authors of publication | Bhagyaraju, Bussa; Sambasiva Rao, P.; Swu, Toka |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1523 |
| a | 17.443 ± 0.004 Å |
| b | 11.2197 ± 0.0019 Å |
| c | 9.4435 ± 0.0019 Å |
| α | 90° |
| β | 92.67 ± 0.02° |
| γ | 90° |
| Cell volume | 1846.1 ± 0.6 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1102 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181292 (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 2/23/70. |
2237032.cif 2237032.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. |
2237032.cif 2237032.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237032.cif 2237032.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. | 2237032.cif 2237032.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2237032.cif 2237032.hkl |
| 71308 | 2013-01-18 | cif/ Adding structures of 2237032 via cif-deposit CGI script. |
2237032.cif |
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Users of the data should acknowledge the original authors of the
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