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Information card for entry 2010997
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| Coordinates | 2010997.cif |
|---|---|
| Structure factors | 2010997.hkl |
| Original IUCr paper | HTML |
| Chemical name | bis(nitrato)(1,4,7-trioxa-10-azacyclododecane)mercury(II) |
|---|---|
| Formula | C8 H17 Hg N3 O9 |
| Calculated formula | C8 H17 Hg N3 O9 |
| SMILES | [Hg]12345([NH]6CC[O]1CC[O]2CC[O]3CC6)(ON(=O)=[O]4)ON(=O)=[O]5 |
| Title of publication | The Ni^II^, Hg^II^ and Cu^II^ complexes of 12-membered-ring mixed-donor macrocycles |
| Authors of publication | Marcus, Sebastian T.; Gahan, Lawrence R.; Bernhardt, Paul V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | 655 - 658 |
| a | 8.245 ± 0.003 Å |
| b | 11.927 ± 0.002 Å |
| c | 14.272 ± 0.005 Å |
| α | 90° |
| β | 96.6 ± 0.02° |
| γ | 90° |
| Cell volume | 1394.2 ± 0.7 Å3 |
| Cell temperature | 275 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0416 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for all reflections included in the refinement | 0.0873 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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