Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7019111
Preview
| Coordinates | 7019111.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H34 Cu N4 O4 |
|---|---|
| Calculated formula | C23 H34 Cu N4 O4 |
| SMILES | [Cu]123[NH2][C@@H](Cc4ccccc4)C(=O)N1CCCN2C(=O)[C@@H]([NH2]3)Cc1ccccc1.OC.OC |
| Title of publication | Copper(ii) complexes of bis(amino amide) ligands: effect of changes in the amino acid residue. |
| Authors of publication | Martí, Inés; Ferrer, Armando; Escorihuela, Jorge; Burguete, M. Isabel; Luis, Santiago V. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 22 |
| Pages of publication | 6764 - 6776 |
| a | 9.5315 ± 0.0002 Å |
| b | 12.0135 ± 0.0003 Å |
| c | 20.7584 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2376.98 ± 0.09 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.0667 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179895 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/91. |
7019111.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7019111.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019111.cif |
| 60441 | 2012-06-14 | cif/ Adding structures of 7019110, 7019111 via cif-deposit CGI script. |
7019111.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.