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Information card for entry 2236056
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| Coordinates | 2236056.cif |
|---|---|
| Structure factors | 2236056.hkl |
| Original IUCr paper | HTML |
| Chemical name | [<i>N</i>-(1-Azanidyl-2,2,2-trichloroethylidene)-2,2,2- trichloroethanimidamide]copper(II) |
|---|---|
| Formula | C8 H4 Cl12 Cu N6 |
| Calculated formula | C8 H4 Cl12 Cu N6 |
| SMILES | ClC(C1=NC(=[NH][Cu]2(N1)[NH]=C(N=C(N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)(Cl)Cl |
| Title of publication | [<i>N</i>-(1-Azanidyl-2,2,2-trichloroethylidene)-2,2,2-trichloroethanimidamide]copper(II) |
| Authors of publication | Shikhaliyev, Namig G.; Maharramov, Abel M.; Muzalevskiy, Vasily M.; Nenajdenko, Valentine G.; Khrustalev, Victor N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | m1220 - m1221 |
| a | 5.9317 ± 0.0017 Å |
| b | 9.078 ± 0.003 Å |
| c | 10.831 ± 0.003 Å |
| α | 98.475 ± 0.005° |
| β | 97.525 ± 0.005° |
| γ | 103.662 ± 0.005° |
| Cell volume | 552.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.053 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1274 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181282 (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 2/23/60. |
2236056.cif 2236056.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236056.cif 2236056.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236056.cif 2236056.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. | 2236056.cif 2236056.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236056.cif 2236056.hkl |
| 69594 | 2012-12-21 | cif/ Adding structures of 2236056 via cif-deposit CGI script. |
2236056.cif |
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Users of the data should acknowledge the original authors of the
structural data.