Information card for entry 7001580
| Formula |
C62 H98 Co N O5 Se2 |
| Calculated formula |
C62 H96 Co N O5 Se2 |
| Title of publication |
Geometrical isomers of [TEAH][Co(LSe)2]·xH2O: synthesis, structural, spectroscopic and computational studies |
| Authors of publication |
Mijanuddin, Md.; Jana, Atish D.; Ray, Ambarish; Drew, Michael G. B.; Das, Kalyan K.; Pramanik, Anup; Ali, Mahammad |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2009 |
| Journal issue |
26 |
| Pages of publication |
5164 - 5170 |
| a |
12.4294 ± 0.0017 Å |
| b |
13.837 ± 0.002 Å |
| c |
19.81 ± 0.004 Å |
| α |
90.238 ± 0.014° |
| β |
98.366 ± 0.015° |
| γ |
106.126 ± 0.013° |
| Cell volume |
3234.6 ± 1 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.2183 |
| Residual factor for significantly intense reflections |
0.1021 |
| Weighted residual factors for significantly intense reflections |
0.2272 |
| Weighted residual factors for all reflections included in the refinement |
0.2568 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.979 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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