Information card for entry 4000198

Structure parameters

• 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 ų
• 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