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Information card for entry 2011852
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| Coordinates | 2011852.cif |
|---|---|
| Structure factors | 2011852.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,4,8,11-tetraazacyclotetradecane-2,9-dione dihydrate |
|---|---|
| Formula | C10 H24 N4 O4 |
| Calculated formula | C10 H24 N4 O4 |
| Title of publication | <i>trans</i>-Dioxocyclam (1,4,8,11-tetraazacyclotetradecane-2,9-dione) dihydrate and its Ni^II^ complex |
| Authors of publication | Hubin, Timothy J.; Tyryshkin, Nickolay; Alcock, Nathaniel W.; Busch, Daryle H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 4 |
| Pages of publication | 359 - 362 |
| a | 4.869 ± 0.003 Å |
| b | 7.53 ± 0.005 Å |
| c | 9.15 ± 0.005 Å |
| α | 83.037 ± 0.01° |
| β | 88.727 ± 0.015° |
| γ | 79.806 ± 0.01° |
| Cell volume | 327.7 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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