Information card for entry 4000199

Structure parameters

• Formula: C27 H28 Br5 O17 Ti3
• Calculated formula: C27.77 H28 Br4.226 O17 Ti3
• Journal of publication: Chemistry of Materials
• Year of publication: 2002
• a: 12.7781 ± 0.0007 Å
• b: 15.2375 ± 0.0008 Å
• c: 22.7764 ± 0.0012 Å
• α: 90°
• β: 104.784 ± 0.001°
• γ: 90°
• Cell volume: 4287.9 ± 0.4 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: 0.0739
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No