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Information card for entry 2240384
Preview
| Coordinates | 2240384.cif |
|---|---|
| Structure factors | 2240384.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^]nickel(II) |
|---|---|
| Formula | C24 H16 N14 Ni S2 |
| Calculated formula | C24 H16 N14 Ni S2 |
| SMILES | c1cccc2[n]1[Ni]1([n]3ccccc3c3[n]1nc(c1ncccc1)s3)([n]1c2sc(c2ncccc2)n1)(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^]nickel(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 | 2 |
| Pages of publication | m24 - m25 |
| a | 7.7981 ± 0.0003 Å |
| b | 8.241 ± 0.0003 Å |
| c | 20.1555 ± 0.0007 Å |
| α | 90° |
| β | 93.141 ± 0.002° |
| γ | 90° |
| Cell volume | 1293.33 ± 0.08 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 | 0.0431 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240384.cif 2240384.hkl |
| 181323 | 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 2/24/03. |
2240384.cif 2240384.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240384.cif 2240384.hkl |
| 129656 | 2015-01-15 | cif/ hkl/ Adding structures of 2240384 via cif-deposit CGI script. |
2240384.cif 2240384.hkl |
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Users of the data should acknowledge the original authors of the
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