Information card for entry 2205163
Common name |
Fe(III)Cl(OEP) |
Chemical name |
Chloro(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III) |
Formula |
C36 H44 Cl Fe N4 |
Calculated formula |
C36 H44 Cl Fe N4 |
SMILES |
[Fe]123(Cl)[N]4C5=CC6N3C(C=C3[N]2=C(C=C2N1C(=CC=4C(=C5CC)CC)C(CC)=C2CC)C(CC)=C3CC)=C(CC)C=6CC |
Title of publication |
Chloro(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III) |
Authors of publication |
Senge, Mathias O. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
2 |
Pages of publication |
m399 - m400 |
a |
15.045 ± 0.009 Å |
b |
22.154 ± 0.012 Å |
c |
9.972 ± 0.005 Å |
α |
90° |
β |
106.05 ± 0.04° |
γ |
90° |
Cell volume |
3194 ± 3 Å3 |
Cell temperature |
126 ± 2 K |
Ambient diffraction temperature |
126 ± 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 |
0.0673 |
Residual factor for significantly intense reflections |
0.0477 |
Weighted residual factors for significantly intense reflections |
0.1242 |
Weighted residual factors for all reflections included in the refinement |
0.1365 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.057 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2205163.html