Information card for entry 2242509
Chemical name |
Dichloridohydrido(1,1,3,3,5,5,7,7-octaphenyl-1,5λ^5^,7-triphospha-3-phosphoniahept-4-en-4-yl)iridium(III) acetone monosolvate |
Formula |
C54 H51 Cl2 Ir O P4 |
Calculated formula |
C54 H45 Cl2 Ir O P4 |
Title of publication |
Crystal structures of four new iridium complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand |
Authors of publication |
Partl, Gabriel Julian; Nussbaumer, Felix; Schlapp-Hackl, Inge; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2018 |
Journal volume |
74 |
Journal issue |
6 |
Pages of publication |
846 - 852 |
a |
18.7964 ± 0.0004 Å |
b |
13.7444 ± 0.0002 Å |
c |
18.8487 ± 0.0004 Å |
α |
90° |
β |
101.586 ± 0.002° |
γ |
90° |
Cell volume |
4770.25 ± 0.16 Å3 |
Cell temperature |
233 ± 2 K |
Ambient diffraction temperature |
233 ± 2 K |
Number of distinct elements |
6 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0807 |
Residual factor for significantly intense reflections |
0.0476 |
Weighted residual factors for significantly intense reflections |
0.0838 |
Weighted residual factors for all reflections included in the refinement |
0.0911 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
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/2242509.html