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Information card for entry 4327979
Preview
| Coordinates | 4327979.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H31 Cl2 Cu3 N15 O18 |
|---|---|
| Calculated formula | C12 H31 Cl2 Cu3 N15 O18 |
| Title of publication | Antisymmetric Exchange in Triangular Tricopper(II) Complexes: Correlation among Structural, Magnetic, and Electron Paramagnetic Resonance Parameters |
| Authors of publication | Sacramento Ferrer; Francesc Lloret; Emilio Pardo; Juan Modesto Clemente-Juan; Malva Liu-González; Santiago García-Granda |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 985 - 1001 |
| a | 11.216 ± 0.002 Å |
| b | 11.538 ± 0.002 Å |
| c | 13.696 ± 0.003 Å |
| α | 76.68 ± 0.011° |
| β | 69.074 ± 0.011° |
| γ | 88.28 ± 0.011° |
| Cell volume | 1608.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1331 |
| Residual factor for significantly intense reflections | 0.0882 |
| Weighted residual factors for significantly intense reflections | 0.229 |
| Weighted residual factors for all reflections included in the refinement | 0.2706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4327979.cif |
| 179382 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/79. |
4327979.cif |
| 76923 | 2013-03-22 | cif/ Adding structures of 4327979 via cif-deposit CGI script. |
4327979.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.