Information card for entry 2231689
Chemical name |
(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis[2-(naphth[1,2- <i>d</i>][1,3]oxazol-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III) |
Formula |
C39 H27 Ir N2 O4 |
Calculated formula |
C39 H27 Ir N2 O4 |
SMILES |
[Ir]123(c4ccccc4c4oc5ccc6ccccc6c5[n]14)([n]1c(oc4ccc5ccccc5c14)c1c3cccc1)OC(=CC(=[O]2)C)C |
Title of publication |
(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis[2-(naphth[1,2-<i>d</i>][1,3]oxazol-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III) |
Authors of publication |
Yin, Guojie |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
9 |
Pages of publication |
m1305 |
a |
16.64 ± 0.003 Å |
b |
17.384 ± 0.003 Å |
c |
21.461 ± 0.004 Å |
α |
90° |
β |
95.026 ± 0.002° |
γ |
90° |
Cell volume |
6184.1 ± 1.9 Å3 |
Cell temperature |
273 ± 2 K |
Ambient diffraction temperature |
273 ± 2 K |
Number of distinct elements |
5 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.0361 |
Residual factor for significantly intense reflections |
0.0233 |
Weighted residual factors for significantly intense reflections |
0.0468 |
Weighted residual factors for all reflections included in the refinement |
0.0506 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.009 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2231689.html