Information card for entry 2021488
| Chemical name |
(1,4-Diazabicyclo[2.2.2]octane)(5,10,15,20-tetraphenylporphyrin)manganese(III) chloride‒1,4-diazabicyclo[2.2.2]octane‒toluene‒water (4/4/4/1) |
| Formula |
C63 H60 Cl Mn N8 O0.25 |
| Calculated formula |
C63 H60 Cl Mn N8 O0.25 |
| Title of publication |
Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases |
| Authors of publication |
Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A.; Lockard, Jenny V. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
2019 |
| Journal volume |
75 |
| Journal issue |
3 |
| a |
11.4402 ± 0.0002 Å |
| b |
13.4019 ± 0.0003 Å |
| c |
18.6407 ± 0.0004 Å |
| α |
95.774 ± 0.001° |
| β |
92.199 ± 0.001° |
| γ |
113.63 ± 0.001° |
| Cell volume |
2595.35 ± 0.09 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0834 |
| Residual factor for significantly intense reflections |
0.0641 |
| Weighted residual factors for significantly intense reflections |
0.1668 |
| Weighted residual factors for all reflections included in the refinement |
0.1795 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.068 |
| 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/2021488.html
