Information card for entry 7044546
| Formula |
C31 H27 N2 P |
| Calculated formula |
C31 H27 N2 P |
| SMILES |
P(=Nc1ccccc1NCc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication |
Benzannulated Re(i)–NHC complexes: synthesis, photophysical properties and antimicrobial activity |
| Authors of publication |
Siegmund, Daniel; Lorenz, Nicole; Gothe, Yvonne; Spies, Christian; Geissler, Bastian; Prochnow, Pascal; Nuernberger, Patrick; Bandow, Julia E.; Metzler-Nolte, Nils |
| Journal of publication |
Dalton Trans. |
| Year of publication |
2017 |
| a |
9.426 ± 0.008 Å |
| b |
9.712 ± 0.008 Å |
| c |
13.81 ± 0.011 Å |
| α |
86.81 ± 0.018° |
| β |
79.9 ± 0.02° |
| γ |
84.897 ± 0.015° |
| Cell volume |
1238.7 ± 1.8 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.08 |
| Residual factor for significantly intense reflections |
0.0683 |
| Weighted residual factors for significantly intense reflections |
0.1757 |
| Weighted residual factors for all reflections included in the refinement |
0.1932 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7044546.html
