Information card for entry 7047158
| Formula |
C50.5 H67 Cl Hf N2 O6 |
| Calculated formula |
C50.5 H67 Cl Hf N2 O6 |
| Title of publication |
Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour. |
| Authors of publication |
Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W. |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2018 |
| Journal volume |
47 |
| Journal issue |
32 |
| Pages of publication |
11245 - 11252 |
| a |
10.62492 ± 0.00009 Å |
| b |
13.18535 ± 0.0001 Å |
| c |
17.815 ± 0.00014 Å |
| α |
91.5475 ± 0.0006° |
| β |
91.2308 ± 0.0007° |
| γ |
98.6382 ± 0.0007° |
| Cell volume |
2465.73 ± 0.03 Å3 |
| Cell temperature |
100.01 ± 0.1 K |
| Ambient diffraction temperature |
100.01 ± 0.1 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 |
0.0211 |
| Residual factor for significantly intense reflections |
0.0199 |
| Weighted residual factors for significantly intense reflections |
0.0501 |
| Weighted residual factors for all reflections included in the refinement |
0.0506 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.123 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7047158.html
