Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7011194
Preview
| Coordinates | 7011194.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Cu(hbdpo)(ClO4)2] |
|---|---|
| Chemical name | N,N'-bis(2-pyridylmethyl)-1,3-diaminopropan-2-ol copper(II) diperchlorate |
| Formula | C15 H20 Cl2 Cu N4 O9 |
| Calculated formula | C15 H20 Cl2 Cu N4 O9 |
| SMILES | [Cu]123([n]4ccccc4C[NH]1CC(O)C[NH]2Cc1[n]3cccc1)(OCl(=O)(=O)=O)OCl(=O)(=O)=O |
| Title of publication | Crystal structure, solution properties and hydrolytic activity of an alkoxo-bridged dinuclear copper(ii) complex, as a ribonuclease model |
| Authors of publication | Gajda, Tamás; Jancsó, Attila; Mikkola, Satu; Lönnberg, Harri; Sirges, Holger |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 8 |
| Pages of publication | 1757 |
| a | 11.714 ± 0.002 Å |
| b | 12.817 ± 0.003 Å |
| c | 27.364 ± 0.006 Å |
| α | 90° |
| β | 90.77 ± 0.03° |
| γ | 90° |
| Cell volume | 4108 ± 1.5 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1496 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1534 |
| Weighted residual factors for all reflections included in the refinement | 0.1819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7011194.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011194.cif |
| 179815 | 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 7/01/11. |
7011194.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011194.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011194.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011194.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.