Information card for entry 7023008
| Formula |
C28 H28 N2 O6 |
| Calculated formula |
C28 H28 N2 O6 |
| SMILES |
n1c(cc(cc1c1ncccc1)c1cc(c(c(c1)OC)OC)OC)c1cc(c(c(c1)OC)OC)OC |
| Title of publication |
Solution, structural and photophysical aspects of substituent effects in the N^N ligand in [Ir(C^N)2(N^N)]+ complexes. |
| Authors of publication |
Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Martin, Colin J.; Wright, Iain A.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegas, Antonio |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2013 |
| Journal volume |
42 |
| Journal issue |
22 |
| Pages of publication |
8086 - 8103 |
| a |
10.5992 ± 0.0002 Å |
| b |
11.0302 ± 0.0002 Å |
| c |
12.2247 ± 0.0003 Å |
| α |
96.339 ± 0.001° |
| β |
108.938 ± 0.001° |
| γ |
108.685 ± 0.001° |
| Cell volume |
1243.4 ± 0.05 Å3 |
| Cell temperature |
123 K |
| Ambient diffraction temperature |
123 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 |
0.0539 |
| Residual factor for significantly intense reflections |
0.0446 |
| Weighted residual factors for all reflections |
0.0766 |
| Weighted residual factors for significantly intense reflections |
0.0496 |
| Weighted residual factors for all reflections included in the refinement |
0.0459 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0538 |
| 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/7023008.html
