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Information card for entry 2019807
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| Coordinates | 2019807.cif |
|---|---|
| Structure factors | 2019807.hkl |
| Original IUCr paper | HTML |
| Common name | C23H19CuN3O3 |
|---|---|
| Chemical name | (Pyridine-κ<i>N</i>)bis(quinolin-2-olato-κ^2^<i>N</i>,<i>O</i>)copper(II) monohydrate |
| Formula | C23 H19 Cu N3 O3 |
| Calculated formula | C23 H19 Cu N3 O3 |
| SMILES | [Cu]12(Oc3cccc4ccc[n]1c34)(Oc1c3[n]2cccc3ccc1)[n]1ccccc1.O |
| Title of publication | Crystal structure of (pyridine-κN)bis(quinolin-2-olato-κ2N,O)copper(II) monohydrate |
| Authors of publication | Hawks, Benjamin; Yan, Jingjing; Basa, Prem; Burdette, Shawn |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | m38 |
| a | 8.9129 ± 0.0004 Å |
| b | 13.9987 ± 0.0007 Å |
| c | 32.2568 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4024.6 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0774 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019807.cif 2019807.hkl |
| 180866 | 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 2/01/98. |
2019807.cif 2019807.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. |
2019807.cif 2019807.hkl |
| 130192 | 2015-01-29 | cif/ hkl/ Adding structures of 2019807 via cif-deposit CGI script. |
2019807.cif 2019807.hkl |
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Users of the data should acknowledge the original authors of the
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