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Information card for entry 1559077
Preview
| Coordinates | 1559077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | trans-Di(3-iodobenzoato)bis(1,3-diaminopropane)copper(II), C20H28CuI2N4O4 |
|---|---|
| Formula | C20 H28 Cu I2 N4 O4 |
| Calculated formula | C20 Cu I2 N4 O4 |
| SMILES | Ic1cc(ccc1)C(=O)O[Cu]12([NH2]CCC[NH2]1)([NH2]CCC[NH2]2)OC(c1cc(I)ccc1)=O |
| Title of publication | Structure of trans-Di(3-iodobenzoato)bis(1,3-diaminopropane)copper(II), C20H28CuI2N4O4 |
| Authors of publication | Sundberg, Markku R.; Sillanpaa, Reijo |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1992 |
| Journal volume | 46 |
| Pages of publication | 34 - 37 |
| a | 11.717 ± 0.002 Å |
| b | 8.283 ± 0.002 Å |
| c | 13 ± 0.001 Å |
| α | 90° |
| β | 103.79 ± 0.01° |
| γ | 90° |
| Cell volume | 1225.3 ± 0.4 Å3 |
| Ambient diffraction temperature | 291 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256402 (current) | 2020-09-14 | cif/ Adding structures of 1559077 via cif-deposit CGI script. |
1559077.cif |
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