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Information card for entry 2232544
Preview
| Coordinates | 2232544.cif |
|---|---|
| Structure factors | 2232544.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido{2-[(3,4-dimethylphenyl)iminomethyl]pyridine- κ^2^<i>N</i>,<i>N</i>'}copper(II) |
|---|---|
| Formula | C14 H14 Cl2 Cu N2 |
| Calculated formula | C14 H14 Cl2 Cu N2 |
| SMILES | [Cu]1(Cl)(Cl)[n]2ccccc2C=[N]1c1ccc(c(c1)C)C |
| Title of publication | Dichlorido{2-[(3,4-dimethylphenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}copper(II) |
| Authors of publication | Khalaj, Mehdi; Dehghanpour, Saeed; Salehzadeh, Sadegh; Mahmoudi, Ali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1624 |
| a | 8.1171 ± 0.0004 Å |
| b | 9.5784 ± 0.0004 Å |
| c | 10.0609 ± 0.0005 Å |
| α | 67.236 ± 0.002° |
| β | 88.513 ± 0.002° |
| γ | 81.336 ± 0.002° |
| Cell volume | 712.61 ± 0.06 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 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 | 0.0779 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181247 (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 2/23/25. |
2232544.cif 2232544.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. |
2232544.cif 2232544.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232544.cif 2232544.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. | 2232544.cif 2232544.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232544.cif 2232544.hkl |
| 31218 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232544 via cif-deposit CGI script. |
2232544.cif |
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Users of the data should acknowledge the original authors of the
structural data.