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Information card for entry 2235587
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| Coordinates | 2235587.cif |
|---|---|
| Structure factors | 2235587.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{<i>N</i>-[methoxy(4-methylbenzamido)methyl]-2,4-dimethylanilinido- κ^2^<i>N</i>,<i>O</i>}copper(II) |
|---|---|
| Formula | C36 H40 Cu N4 O4 |
| Calculated formula | C36 H40 Cu N4 O4 |
| SMILES | C1(NC(=[O][Cu]2([N]=1c1ccc(cc1C)C)[N](=C(NC(c1ccc(cc1)C)=[O]2)OC)c1ccc(cc1C)C)c1ccc(cc1)C)OC |
| Title of publication | Bis{<i>N</i>-[methoxy(4-methylbenzamido)methyl]-2,4-dimethylanilinido-κ^2^<i>N</i>,<i>O</i>}copper(II) |
| Authors of publication | Yusof, M. Sukeri M.; Kadir, Maisara A.; Yamin, Bohari M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m894 |
| a | 7.949 ± 0.002 Å |
| b | 10.191 ± 0.003 Å |
| c | 10.844 ± 0.004 Å |
| α | 80.784 ± 0.006° |
| β | 74.302 ± 0.006° |
| γ | 79.772 ± 0.006° |
| Cell volume | 826.4 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0914 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1766 |
| Weighted residual factors for all reflections included in the refinement | 0.1975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2235587.cif 2235587.hkl |
| 181277 | 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 2/23/55. |
2235587.cif 2235587.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. |
2235587.cif 2235587.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235587.cif 2235587.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. | 2235587.cif 2235587.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235587.cif 2235587.hkl |
| 64057 | 2012-08-11 | cif/ Adding structures of 2235587 via cif-deposit CGI script. |
2235587.cif |
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Users of the data should acknowledge the original authors of the
structural data.