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Information card for entry 2019579
Preview
| Coordinates | 2019579.cif |
|---|---|
| Structure factors | 2019579.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-bromo-4-chloro-6-{[(2-hydroxyethyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II) |
|---|---|
| Formula | C18 H16 Br2 Cl2 Cu N2 O4 |
| Calculated formula | C18 H16 Br2 Cl2 Cu N2 O4 |
| SMILES | C1c2c(O[Cu]3([N]=1CCO)[N](=Cc1c(c(cc(c1)Cl)Br)O3)CCO)c(cc(c2)Cl)Br |
| Title of publication | Disentangling steric and electronic factors in monomeric bis(2-bromo-4-chloro-6-{[(2-hydroxyethyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II) |
| Authors of publication | Zabierowski, Piotr; Szklarzewicz, Janusz; Nitek, Wojciech |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | 659 - 661 |
| a | 13.1298 ± 0.0006 Å |
| b | 4.6502 ± 0.0001 Å |
| c | 16.957 ± 0.002 Å |
| α | 90° |
| β | 90.977 ± 0.009° |
| γ | 90° |
| Cell volume | 1035.18 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0329 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181865 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019579.cif 2019579.hkl |
| 180863 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/95. |
2019579.cif 2019579.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019579.cif 2019579.hkl |
| 121389 | 2014-08-06 | cif/ Updating files of 2019579 Original log message: Adding full bibliography for 2019579.cif. |
2019579.cif 2019579.hkl |
| 116120 | 2014-06-07 | cif/ hkl/ Adding structures of 2019579 via cif-deposit CGI script. |
2019579.cif 2019579.hkl |
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