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Information card for entry 2012021
Preview
| Coordinates | 2012021.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C33 H33 Cl3 Fe I N4 O4 |
|---|---|
| Calculated formula | C33 H33 Cl3 Fe I N4 O4 |
| Title of publication | (12,17-Diethoxycarbonyl-2,3,6,7,11,18-hexamethylcorrphycenato-κ^4^<i>N</i>)iodoiron(III) chloroform solvate |
| Authors of publication | Ohgo, Yoshiki; Neya, Saburo; Funasaki, Noriaki; Nakamura, Mikio |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 694 - 695 |
| a | 8.538 ± 0.002 Å |
| b | 14.114 ± 0.002 Å |
| c | 15.648 ± 0.004 Å |
| α | 106.04 ± 0.014° |
| β | 93.59 ± 0.02° |
| γ | 104.964 ± 0.016° |
| Cell volume | 1732.5 ± 0.7 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.084 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for all reflections included in the refinement | 0.15 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.