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Information card for entry 4086485
Preview
| Coordinates | 4086485.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H33 Cl2 Co N4 O2 |
|---|---|
| Calculated formula | C18 H33 Cl2 Co N4 O2 |
| SMILES | [Co]123(Cl)([NH]4CC[NH]1CCC[NH]2CC[NH]3CCC4)C#CC#CC#C.[Cl-].OC.OC |
| Title of publication | CoIII(cyclam) Oligoynyls: Monomeric Oligoynyl Complexes and Dimeric Complexes with an Oligoyn-diyl Bridge |
| Authors of publication | Cook, Timothy D.; Natoli, Sean N.; Fanwick, Phillip E.; Ren, Tong |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| a | 10.7457 ± 0.0004 Å |
| b | 17.4105 ± 0.0013 Å |
| c | 12.7145 ± 0.0008 Å |
| α | 90° |
| β | 100.495 ± 0.004° |
| γ | 90° |
| Cell volume | 2338.9 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182448 (current) | 2016-05-03 | cif/ Adding structures of 4086482, 4086483, 4086484, 4086485, 4086486, 4086487, 4086488, 4086489 via cif-deposit CGI script. |
4086485.cif |
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Users of the data should acknowledge the original authors of the
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