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Information card for entry 2235406
Preview
| Coordinates | 2235406.cif |
|---|---|
| Structure factors | 2235406.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 | c1[n]2c(ccc1)C=[N](c1ccc(cc1)CC)[Cu]12([Cl][Cu]2([n]3ccccc3C=[N]2c2ccc(cc2)CC)([Cl]1)Cl)Cl |
| Title of publication | A second monoclinic polymorph of di-μ-chlorido-bis(chlorido{2-[(4-ethylphenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}copper(II)) |
| Authors of publication | Khalaj, Mehdi; Dehghanpour, Saeed; Mahmoudi, Ali; Khalaj, Arash; Lough, Alan J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m920 - m921 |
| a | 7.848 ± 0.0004 Å |
| b | 13.716 ± 0.0006 Å |
| c | 14.4601 ± 0.0007 Å |
| α | 90° |
| β | 113.924 ± 0.003° |
| γ | 90° |
| Cell volume | 1422.8 ± 0.12 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 | 0.068 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181276 (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 2/23/54. |
2235406.cif 2235406.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. |
2235406.cif 2235406.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235406.cif 2235406.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. | 2235406.cif 2235406.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235406.cif 2235406.hkl |
| 63867 | 2012-08-10 | cif/ Adding structures of 2235406 via cif-deposit CGI script. |
2235406.cif |
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Users of the data should acknowledge the original authors of the
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