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Information card for entry 2229371
Preview
| Coordinates | 2229371.cif |
|---|---|
| Structure factors | 2229371.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido(3,5,5'-trimethyl-1,3'-bi-1<i>H</i>-pyrazole- κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II) |
|---|---|
| Formula | C9 H12 Cl2 Cu N4 |
| Calculated formula | C9 H12 Cl2 Cu N4 |
| SMILES | [Cu]1(Cl)(Cl)[n]2n(c(cc2C)C)c2[n]1[nH]c(c2)C |
| Title of publication | Dichlorido(3,5,5'-trimethyl-1,3'-bi-1<i>H</i>-pyrazole-κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II) |
| Authors of publication | El Ghayati, Lhoussaine; El Ammari, Lahcen; Labd Taha, Mohamed; Tjiou, El Mostafa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | m323 - m324 |
| a | 8.5475 ± 0.0002 Å |
| b | 9.3475 ± 0.0003 Å |
| c | 9.3512 ± 0.0003 Å |
| α | 66.379 ± 0.002° |
| β | 62.876 ± 0.001° |
| γ | 78.065 ± 0.002° |
| Cell volume | 608.99 ± 0.03 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 | 0.0411 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181214 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/93. |
2229371.cif 2229371.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229371.cif 2229371.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229371.cif 2229371.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. | 2229371.cif 2229371.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229371.cif 2229371.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2229371.cif 2229371.hkl |
| 17419 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2229371 via cif-deposit CGI script. |
2229371.cif |
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Users of the data should acknowledge the original authors of the
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