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Information card for entry 2021796
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| Coordinates | 2021796.cif |
|---|---|
| Structure factors | 2021796.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) tetrachloridoferrate |
|---|---|
| Formula | C16 H36 Cl6 Fe2 N4 |
| Calculated formula | C16 H36 Cl6 Fe2 N4 |
| Title of publication | Crystal structures of two (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) complexes |
| Authors of publication | Clendening, Reese A.; Zeller, Matthias; Ren, Tong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 11 |
| a | 6.5569 ± 0.0002 Å |
| b | 19.1663 ± 0.0005 Å |
| c | 20.2946 ± 0.0005 Å |
| α | 90° |
| β | 95.3558 ± 0.0015° |
| γ | 90° |
| Cell volume | 2539.32 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219510 (current) | 2019-10-25 | cif/ hkl/ Adding structures of 2021795, 2021796 via cif-deposit CGI script. |
2021796.cif 2021796.hkl |
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