Information card for entry 7704404
| Formula |
C54 H54 Fe N8 O8 |
| Calculated formula |
C54 H48 Fe N8 O8 |
| Title of publication |
Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series. |
| Authors of publication |
Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2020 |
| Journal volume |
49 |
| Journal issue |
45 |
| Pages of publication |
16268 - 16277 |
| a |
21.508 ± 0.003 Å |
| b |
24.769 ± 0.004 Å |
| c |
9.0646 ± 0.0014 Å |
| α |
90° |
| β |
110.69 ± 0.009° |
| γ |
90° |
| Cell volume |
4517.6 ± 1.2 Å3 |
| Cell temperature |
110 ± 2 K |
| Ambient diffraction temperature |
110 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.0887 |
| Residual factor for significantly intense reflections |
0.0539 |
| Weighted residual factors for significantly intense reflections |
0.1284 |
| Weighted residual factors for all reflections included in the refinement |
0.1458 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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