Information card for entry 2230613
Chemical name |
bis[(cyanato-κ<i>O</i>)/hydroxido(0.5/0.5)](5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)tin(IV) |
Formula |
C45 H29 N5 O2 Sn |
Calculated formula |
C45 H29 N5 O2 Sn |
Title of publication |
Substitutional disorder in bis[(cyanato-κ<i>O</i>)/hydroxido(0.5/0.5)](5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)tin(IV) |
Authors of publication |
Ben Moussa, Imen; Belkhiria, Mohamed Salah; Najmudin, Shabir; Bonifacio, Cecilia; Nasri, Habib |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
7 |
Pages of publication |
m903 - m904 |
a |
11.2943 ± 0.0006 Å |
b |
12.6972 ± 0.0007 Å |
c |
13.0711 ± 0.0007 Å |
α |
90° |
β |
114.251 ± 0.002° |
γ |
90° |
Cell volume |
1709.06 ± 0.16 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.0461 |
Residual factor for significantly intense reflections |
0.0393 |
Weighted residual factors for significantly intense reflections |
0.0938 |
Weighted residual factors for all reflections included in the refinement |
0.0967 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.134 |
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/2230613.html