Information card for entry 2016053
Chemical name |
α-Tris(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) |
Formula |
C15 H21 Co O6 |
Calculated formula |
C15 H21 Co O6 |
SMILES |
[Co]123([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)OC(=CC(=[O]3)C)C |
Title of publication |
α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) at 240, 210, 180, 150 and 110K |
Authors of publication |
Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
7 |
Pages of publication |
m283 - m288 |
a |
13.7338 ± 0.0006 Å |
b |
7.407 ± 0.0003 Å |
c |
16.0959 ± 0.0007 Å |
α |
90° |
β |
98.467 ± 0.001° |
γ |
90° |
Cell volume |
1619.53 ± 0.12 Å3 |
Cell temperature |
180 ± 2 K |
Ambient diffraction temperature |
180 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0634 |
Residual factor for significantly intense reflections |
0.036 |
Weighted residual factors for significantly intense reflections |
0.0708 |
Weighted residual factors for all reflections included in the refinement |
0.0792 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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