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Information card for entry 2019463
Preview
| Coordinates | 2019463.cif |
|---|---|
| Structure factors | 2019463.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^](dicyanamido-κ<i>N</i>)copper(II)]-μ~2~-dicyanamido-κ^2^<i>N</i>:<i>N</i>'] |
|---|---|
| Formula | C16 H10 Cu N12 |
| Calculated formula | C16 H10 Cu N12 |
| SMILES | [Cu]1([n]2nc(n(c2c2[n]1cccc2)N)c1ncccc1)(N=C=NC#N)(N=C=NC#N)[N]#CN=C=N[Cu]1([n]2nc(n(c2c2[n]1cccc2)N)c1ncccc1)N=C=NC#N |
| Title of publication | <i>catena</i>-Poly[[[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^](dicyanamido-κ<i>N</i>)copper(II)]-μ~2~-dicyanamido-κ^2^<i>N</i>:<i>N</i>']: coordination polymer chains linked into a bilayer by hydrogen bonds and π‒π stacking interactions |
| Authors of publication | Setifi, Zouaoui; Setifi, Fatima; Saadi, Mohamed; Rouag, Djamil-Azzeddine; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | 359 - 363 |
| a | 7.5946 ± 0.0005 Å |
| b | 8.4284 ± 0.0005 Å |
| c | 14.1106 ± 0.0008 Å |
| α | 96.668 ± 0.004° |
| β | 101.019 ± 0.005° |
| γ | 102.962 ± 0.004° |
| Cell volume | 851.96 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.1008 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019463.cif 2019463.hkl |
| 180862 | 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 2/01/94. |
2019463.cif 2019463.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. |
2019463.cif 2019463.hkl |
| 108751 | 2014-04-03 | cif/ hkl/ Adding structures of 2019463 via cif-deposit CGI script. |
2019463.cif 2019463.hkl |
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