Information card for entry 7708764

Structure parameters

• Formula: C52 H71 Cl2 Ho O16 Ti2
• Calculated formula: C52 H71 Cl2 Ho O16 Ti2
• Title of publication: Titanium Compounds Containing Naturally Occurring Dye Molecules
• Authors of publication: Fang, Wei-hui; Muller, Rosa; Jethwa, Rajesh Bharat; Riesgo-González, Victor; Li, Ning; Pike, Sebastian D.; Bond, Andrew David; Luo, He-Kuan; Zhang, Chen; Wright, Dominic S.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 21.4543 ± 0.0005 Å
• b: 13.9595 ± 0.0003 Å
• c: 21.5029 ± 0.0005 Å
• α: 90°
• β: 117.251 ± 0.001°
• γ: 90°
• Cell volume: 5725.2 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No