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Information card for entry 1559463
Preview
| Coordinates | 1559463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | {trans[Cr(cyclam)(NH3)O]2CO}I4.2H2O |
|---|---|
| Formula | C21 H58 Cr2 I4 N10 O5 |
| Calculated formula | C21 Cr2 I4 N10 O5 |
| SMILES | [I-].[I-].[I-].[I-].[Cr]123(OC(=O)O[Cr]456([NH]7CC[NH]4CCC[NH]5CC[NH]6CCC7)[NH3])([NH3])[NH]4CC[NH]1CCC[NH]2CC[NH]3CCC4.O.O |
| Title of publication | Structure, Magnetic Susceptibility, and EPR Spectra of a Dimeric Macrocyclic Chromium(III) Complex Bridged by a Single Carbonate Ligand |
| Authors of publication | Bang, E.; Eriksen, J.; Glerup, J.; Monsted, L.; Monsted, O.; Weihe, H. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1991 |
| Journal volume | 45 |
| Pages of publication | 367 - 372 |
| a | 9.368 ± 0.005 Å |
| b | 21.977 ± 0.005 Å |
| c | 19.341 ± 0.004 Å |
| α | 90° |
| β | 96.45 ± 0.02° |
| γ | 90° |
| Cell volume | 3957 ± 2 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.053 |
| 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 |
|---|---|---|---|
| 258753 (current) | 2020-11-05 | cif/ Adding structures of 1559463 via cif-deposit CGI script. |
1559463.cif |
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