Information card for entry 2242428
Chemical name |
(5,12-Dimethyl-1,4,8,11-tetraazacyclotetradecane)bis(phenylethynyl)cobalt(III) trifluoromethanesulfonate‒dichloromethane (2/1) |
Formula |
C59 H78 Cl2 Co2 F6 N8 O6 S2 |
Calculated formula |
C59 H78 Cl2 Co2 F6 N8 O6 S2 |
Title of publication |
Crystal structures of 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane cobalt(III) mono-phenylacetylide and bis-phenylacetylide |
Authors of publication |
Oxley, Benjamin M.; Mash, Brandon; Zeller, Matthias; Banziger, Susannah; Ren, Tong |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2018 |
Journal volume |
74 |
Journal issue |
4 |
Pages of publication |
522 - 529 |
a |
12.0263 ± 0.0007 Å |
b |
12.3999 ± 0.0005 Å |
c |
21.9164 ± 0.0014 Å |
α |
90° |
β |
105.326 ± 0.0014° |
γ |
90° |
Cell volume |
3152.1 ± 0.3 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
8 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0519 |
Residual factor for significantly intense reflections |
0.034 |
Weighted residual factors for significantly intense reflections |
0.0721 |
Weighted residual factors for all reflections included in the refinement |
0.0779 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.011 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2242428.html