Information card for entry 4072666
| Formula |
C37 H29 Fe2 N O S |
| Calculated formula |
C37 H29 Fe2 N O S |
| Title of publication |
Ferrocene−Phenothiazine Conjugated Molecules: Synthesis, Structural Characterization, Electronic Properties, and DFT-TDDFT Computational Study |
| Authors of publication |
Zhang, Wen-Wei; Yu, Yong-Guang; Lu, Zhen-Da; Mao, Wei-Li; Li, Yi-Zhi; Meng, Qing-Jin |
| Journal of publication |
Organometallics |
| Year of publication |
2007 |
| Journal volume |
26 |
| Journal issue |
4 |
| Pages of publication |
865 |
| a |
19.672 ± 0.002 Å |
| b |
7.5147 ± 0.0008 Å |
| c |
20.205 ± 0.002 Å |
| α |
90° |
| β |
94.327 ± 0.002° |
| γ |
90° |
| Cell volume |
2978.4 ± 0.5 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
6 |
| 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 |
0.0871 |
| Residual factor for significantly intense reflections |
0.0566 |
| Weighted residual factors for significantly intense reflections |
0.1164 |
| Weighted residual factors for all reflections included in the refinement |
0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.964 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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