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Information card for entry 7018162
Preview
| Coordinates | 7018162.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H24 Cu3 N6 O10 |
|---|---|
| Calculated formula | C8 H24 Cu3 N6 O10 |
| SMILES | C1C[NH2][Cu]23[NH2]CC[O]3[Cu]3([O]12)([O]1CC[NH2][Cu]21[NH2]CC[O]32)(ON(=O)=O)ON(=O)=O |
| 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 | 8.7208 ± 0.0004 Å |
| b | 9.1161 ± 0.0005 Å |
| c | 11.8368 ± 0.0006 Å |
| α | 90° |
| β | 106.544 ± 0.003° |
| γ | 90° |
| Cell volume | 902.06 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| 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. |
7018162.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. |
7018162.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018162.cif |
| 37669 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018159, 7018160, 7018161, 7018162 via cif-deposit CGI script. |
7018162.cif |
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