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Information card for entry 2241289
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| Coordinates | 2241289.cif |
|---|---|
| Structure factors | 2241289.hkl |
| Original IUCr paper | HTML |
| Common name | IN492_11mz048 |
|---|---|
| Chemical name | (6,6'-Dihydroxybipyridine-2κ^2^<i>N</i>,<i>N</i>')[μ-6-(6-hydroxypyridin-2-yl)pyridin-2-olato-1:2κ^3^<i>N</i>,<i>N</i>':<i>O</i>^2^](μ-hydroxido-1:2κ^2^<i>O</i>:<i>O</i>')(μ-nitrato-1:2κ^2^<i>O</i>:<i>O</i>')(nitrato-1κ<i>O</i>)dicopper(II) |
| Formula | C20 H16 Cu2 N6 O11 |
| Calculated formula | C20 H16 Cu2 N6 O11 |
| SMILES | c1(cccc2c3cccc4[n]3[Cu]3([n]12)([OH][Cu]1([n]2c(cccc2c2cccc([n]12)O)O)(O4)ON(=[O]3)=O)ON(=O)=O)O |
| Title of publication | Crystal structures of bis- and hexakis[(6,6'-dihydroxybipyridine)copper(II)] nitrate coordination complexes |
| Authors of publication | Gerlach, Deidra L.; Nieto, Ismael; Herbst-Gervasoni, Corey J.; Ferrence, Gregory M.; Zeller, Matthias; Papish, Elizabeth T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | 1447 - 1453 |
| a | 7.358 ± 0.002 Å |
| b | 10.447 ± 0.003 Å |
| c | 15.744 ± 0.004 Å |
| α | 77.61 ± 0.004° |
| β | 78.927 ± 0.004° |
| γ | 69.938 ± 0.004° |
| Cell volume | 1101 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0918 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241289.cif 2241289.hkl |
| 170171 | 2015-11-07 | cif/ hkl/ Adding structures of 2241289, 2241290 via cif-deposit CGI script. |
2241289.cif 2241289.hkl |
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Users of the data should acknowledge the original authors of the
structural data.