Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559000
Preview
| Coordinates | 1559000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Cu(C4H10NO3)2(H2O)] |
|---|---|
| Formula | C8 H22 Cu N2 O7 |
| Calculated formula | C8 Cu N2 O7 |
| SMILES | [Cu]12(OCC(CO)(CO)[NH2]1)([OH2])[NH2]C(CO2)(CO)CO |
| 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 | 12.928 ± 0.003 Å |
| b | 10.783 ± 0.001 Å |
| c | 10.066 ± 0.005 Å |
| α | 90° |
| β | 116.59 ± 0.02° |
| γ | 90° |
| Cell volume | 1254.8 ± 0.7 Å3 |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| 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 |
|---|---|---|---|
| 256204 (current) | 2020-09-07 | cif/ Adding structures of 1559000 via cif-deposit CGI script. |
1559000.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.