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Information card for entry 4000198
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| Coordinates | 4000198.cif |
|---|
| Formula | C58 H42 Br10 O30 Zr5 |
|---|---|
| Calculated formula | C57.99 H42 Br10.446 O30 Zr5 |
| Title of publication | Hybrid Inorganic-Organic Core-Shell Particles from Surface-Functionalized Titanium-, Zirconium and Vanadium Oxo Clusters (CM021216Y) |
| Authors of publication | Guido Kickelbick; Dieter Holzinger; Chad Brick; Ellen Moons |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2002 |
| a | 18.5336 ± 0.001 Å |
| b | 21.9145 ± 0.0011 Å |
| c | 22.6935 ± 0.0011 Å |
| α | 90° |
| β | 91.208 ± 0.001° |
| γ | 90° |
| Cell volume | 9215 ± 0.8 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1173 |
| Residual factor for significantly intense reflections | 0.095 |
| Weighted residual factors for significantly intense reflections | 0.239 |
| Weighted residual factors for all reflections included in the refinement | 0.2611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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