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Information card for entry 7205179
Preview
| Coordinates | 7205179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H46 Ag Cl Cu2 N4 O13 |
|---|---|
| Calculated formula | C40 H46 Ag Cl Cu2 N4 O13 |
| SMILES | [N]12=Cc3cccc(OCC)c3O[Cu]31[N](=Cc1cccc(c1O3)OCC)CC2.[OH2][Ag]1[O]2c3c(OCC)cccc3C=[N]3CC[N]4=Cc5cccc(OCC)c5[O]1[Cu]234.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Syntheses and crystal structures of dinuclear, trinuclear [2 × 1 + 1 × 1] and tetranuclear [2 × 1 + 1 × 2] copper(ii)–d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine) |
| Authors of publication | Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 1 |
| Pages of publication | 124 |
| a | 14.3298 ± 0.0006 Å |
| b | 13.3337 ± 0.0006 Å |
| c | 22.393 ± 0.001 Å |
| α | 90° |
| β | 104.045 ± 0.001° |
| γ | 90° |
| Cell volume | 4150.7 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0604 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0718 |
| Weighted residual factors for all reflections included in the refinement | 0.0784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7205179.cif |
| 206958 | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7205179.cif |
| 180382 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/51. |
7205179.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205179.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205179.cif |
| 14566 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205176, 7205177, 7205178, 7205179 via cif-deposit CGI script. |
7205179.cif |
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