Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7018159
Preview
| Coordinates | 7018159.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H38 Cl2 Cu3 N4 O13 |
|---|---|
| Calculated formula | C14 H38 Cl2 Cu3 N4 O13 |
| Title of publication | Synthesis, crystal structures and magnetic properties of bis(μ-dialkoxo)-bridged linear trinuclear copper(ii) complexes with aminoalcohol ligands: a theoretical/experimental magneto-structural study. |
| Authors of publication | Seppälä, Petri; Colacio, Enrique; Mota, Antonio J.; Sillanpää, Reijo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 9 |
| Pages of publication | 2648 - 2658 |
| a | 10.7499 ± 0.0001 Å |
| b | 11.087 ± 0.0001 Å |
| c | 11.7135 ± 0.0001 Å |
| α | 78.3715 ± 0.0004° |
| β | 77.1573 ± 0.0004° |
| γ | 81.5438 ± 0.0004° |
| Cell volume | 1325.54 ± 0.02 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0304 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0628 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7018159.cif |
| 179885 | 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 7/01/81. |
7018159.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018159.cif |
| 37669 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018159, 7018160, 7018161, 7018162 via cif-deposit CGI script. |
7018159.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.