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Information card for entry 1559001
Preview
| Coordinates | 1559001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Cu(C4H10NO3)2].5H2O |
|---|---|
| Formula | C8 H30 Cu N2 O11 |
| Calculated formula | C8 Cu N2 O11 |
| SMILES | [Cu]12(OCC(CO)(CO)[NH2]1)[NH2]C(CO2)(CO)CO.O.O.O.O.O |
| Title of publication | Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 1. Synthesis, Structure and Thermal Behavior of Three trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-(1)-O,N]copper(II) Complexes, [Cu(C4H10NO3)2], [Cu(C4H10NO3)2(H2O)] and [Cu(C4H10NO3)2].5H2O |
| Authors of publication | Kotila, Sirpa; Valkonen, Jussi |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1993 |
| Journal volume | 47 |
| Pages of publication | 950 - 956 |
| a | 10.087 ± 0.002 Å |
| b | 6.34 ± 0.003 Å |
| c | 15.557 ± 0.001 Å |
| α | 90° |
| β | 124.36 ± 0.01° |
| γ | 90° |
| Cell volume | 821.3 ± 0.4 Å3 |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.713 |
| 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 |
|---|---|---|---|
| 256205 (current) | 2020-09-07 | cif/ Adding structures of 1559001 via cif-deposit CGI script. |
1559001.cif |
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Users of the data should acknowledge the original authors of the
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