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CIF Information Card
Information card for 2015222
2015221 << 2015222 >> 2015223Preview
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Coordinates |
2015222.cif |
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Structure factors |
2015222.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 5,7,7,12,14,14-hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane pentacyanonitrosoferrate(II) |
| Formula | - C21 H42 Fe N10 O3 - |
| Calculated formula | - C21 H42 Fe N10 O3 - |
| Title of publication | 5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane pentacyanonitrosoferrate(II) dihydrate: a supramolecular compound constructed by hydrogen bonds |
| Authors of publication | Ai-Hua Yuan; Xiao-Ping Shen; Hu Zhou |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | m161 - m162 |
| a | 8.9527 ± 0.0012 Å |
| b | 10.7737 ± 0.0014 Å |
| c | 16.977 ± 0.002 Å |
| α | 74.525 ± 0.002° |
| β | 78.926 ± 0.002° |
| γ | 70.318 ± 0.002° |
| Cell volume | 1476.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0899 |
| Residual factor for observed reflections | 0.0575 |
| Weighted residual factors for the observed reflections | 0.1192 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for observed reflections | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |