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Information card for entry 7047149
Preview
| Coordinates | 7047149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H30 N2 O6 Zr |
|---|---|
| Calculated formula | C32 H30 N2 O6 Zr |
| 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 | 9.7739 ± 0.0003 Å |
| b | 11.5955 ± 0.0004 Å |
| c | 12.7567 ± 0.0004 Å |
| α | 95.728 ± 0.003° |
| β | 101.347 ± 0.003° |
| γ | 90.395 ± 0.003° |
| Cell volume | 1409.9 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0274 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.0623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7047149.cif |
| 229363 | 2019-11-17 | cif/ Updating files of 7047149, 7047150, 7047151, 7047152, 7047153, 7047154, 7047155, 7047156, 7047157, 7047158 Original log message: Adding full bibliography for 7047149--7047158.cif. |
7047149.cif |
| 209270 | 2018-07-26 | cif/ Adding structures of 7047149, 7047150, 7047151, 7047152, 7047153, 7047154, 7047155, 7047156, 7047157, 7047158 via cif-deposit CGI script. |
7047149.cif |
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Users of the data should acknowledge the original authors of the
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