Information card for entry 2021796
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 |
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https://www.crystallography.net/2021796.html