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Information card for entry 2231580
Preview
| Coordinates | 2231580.cif |
|---|---|
| Structure factors | 2231580.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-chlorido-bis(chlorido{2-[(4-ethylphenyl)iminomethyl]pyridine- κ^2^<i>N</i>,<i>N</i>'}copper(II)) |
|---|---|
| Formula | C28 H28 Cl4 Cu2 N4 |
| Calculated formula | C28 H28 Cl4 Cu2 N4 |
| SMILES | c1cccc2C=[N](c3ccc(cc3)CC)[Cu]3([n]12)([Cl][Cu]1([n]2ccccc2C=[N]1c1ccc(cc1)CC)([Cl]3)Cl)Cl |
| Title of publication | Di-μ-chlorido-bis(chlorido{2-[(4-ethylphenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}copper(II)) |
| Authors of publication | Dehghanpour, Saeed; Mahmoudi, Ali; Khalaj, Mehdi; Abbasi, Somayeh; Mojahed, Fresia |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1296 |
| a | 10.1254 ± 0.0003 Å |
| b | 8.8384 ± 0.0003 Å |
| c | 16.2117 ± 0.0004 Å |
| α | 90° |
| β | 100.883 ± 0.0018° |
| γ | 90° |
| Cell volume | 1424.73 ± 0.07 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181237 (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 2/23/15. |
2231580.cif 2231580.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. |
2231580.cif 2231580.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231580.cif 2231580.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. | 2231580.cif 2231580.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231580.cif 2231580.hkl |
| 27709 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231580 via cif-deposit CGI script. |
2231580.cif |
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Users of the data should acknowledge the original authors of the
structural data.