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Information card for entry 2240560
Preview
| Coordinates | 2240560.cif |
|---|---|
| Structure factors | 2240560.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(azido-κ<i>N</i>)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]cobalt(II) |
|---|---|
| Formula | C24 H16 Co N14 S2 |
| Calculated formula | C24 H16 Co N14 S2 |
| SMILES | c1ccnc(c1)c1n[n]2c(s1)c1cccc[n]1[Co]12([n]2c(c3cccc[n]13)sc(c1ccccn1)n2)(N=N#N)N=N#N |
| Title of publication | Crystal structure of bis(azido-κ<i>N</i>)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]cobalt(II) |
| Authors of publication | Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | 452 - 454 |
| a | 7.8004 ± 0.0003 Å |
| b | 8.2439 ± 0.0003 Å |
| c | 20.3222 ± 0.0008 Å |
| α | 90° |
| β | 92.91 ± 0.002° |
| γ | 90° |
| Cell volume | 1305.15 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0518 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.08 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240560.cif 2240560.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240560.cif 2240560.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2240560.cif 2240560.hkl |
| 135214 | 2015-04-10 | cif/ hkl/ Adding structures of 2240560 via cif-deposit CGI script. |
2240560.cif 2240560.hkl |
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Users of the data should acknowledge the original authors of the
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