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Information card for entry 2232937
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| Coordinates | 2232937.cif |
|---|---|
| Structure factors | 2232937.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis(4-methyl-3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II) |
|---|---|
| Formula | C32 H28 Cl2 Cu N4 |
| Calculated formula | C32 H28 Cl2 Cu N4 |
| SMILES | c1ccccc1c1c(C)c([nH][n]1[Cu]([n]1c(c2ccccc2)c(C)c([nH]1)c1ccccc1)(Cl)Cl)c1ccccc1 |
| Title of publication | Dichloridobis(4-methyl-3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II) |
| Authors of publication | Hossaini Sadr, Moayad; Soltani, Behzad |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1894 |
| a | 19.105 ± 0.004 Å |
| b | 8.5062 ± 0.0017 Å |
| c | 17.399 ± 0.004 Å |
| α | 90° |
| β | 99.39 ± 0.03° |
| γ | 90° |
| Cell volume | 2789.6 ± 1.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0964 |
| Residual factor for significantly intense reflections | 0.0744 |
| Weighted residual factors for significantly intense reflections | 0.1903 |
| Weighted residual factors for all reflections included in the refinement | 0.2146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181251 (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 2/23/29. |
2232937.cif 2232937.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. |
2232937.cif 2232937.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232937.cif 2232937.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. | 2232937.cif 2232937.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232937.cif 2232937.hkl |
| 31823 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232937 via cif-deposit CGI script. |
2232937.cif |
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Users of the data should acknowledge the original authors of the
structural data.