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Information card for entry 2237350
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| Coordinates | 2237350.cif |
|---|---|
| Structure factors | 2237350.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido{<i>N</i>'-[phenyl(pyridin-2-yl- κ<i>N</i>)methylidene]isonicotinohydrazide-κ^2^<i>N</i>',<i>O</i>}zinc |
|---|---|
| Formula | C18 H14 Cl2 N4 O Zn |
| Calculated formula | C18 H14 Cl2 N4 O Zn |
| SMILES | [Zn]12(Cl)(Cl)OC(=N[N]1=C(c1[n]2cccc1)c1ccccc1)c1cc[nH+]cc1.[Zn]12(Cl)(Cl)[O]=C(N[N]1=C(c1[n]2cccc1)c1ccccc1)c1ccncc1 |
| Title of publication | Dichlorido{<i>N</i>'-[phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]isonicotinohydrazide-κ^2^<i>N</i>',<i>O</i>}zinc |
| Authors of publication | Sy, Adama; Dieng, Moussa; Thiam, Ibrahima Elhadj; Gaye, Mohamed; Retailleau, Pascal |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | m108 |
| a | 11.517 ± 0.003 Å |
| b | 13.248 ± 0.002 Å |
| c | 13.459 ± 0.001 Å |
| α | 91.13 ± 0.005° |
| β | 104.708 ± 0.004° |
| γ | 109.798 ± 0.004° |
| Cell volume | 1856.2 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0928 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181295 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/73. |
2237350.cif 2237350.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2237350.cif 2237350.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237350.cif 2237350.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237350.cif 2237350.hkl |
| 75361 | 2013-03-09 | cif/ Adding structures of 2237350 via cif-deposit CGI script. |
2237350.cif |
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Users of the data should acknowledge the original authors of the
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