Information card for entry 7120345

Structure parameters

• Formula: C326 H178 Cl8 N28 O74 Ti28
• Calculated formula: C323 H186 Cl4 N28 O74 Ti28
• Title of publication: Deep Eutectic-Solvothermal Synthesis of Titanium-Oxo Clusters Protected by π-Conjugate Chromophores
• Authors of publication: Narayanam, Nagaraju; Fang, Wei-Hui; Chintakrinda, Kalpana; Zhang, Lei; Zhang, Jian
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 43.438 ± 0.004 Å
• b: 19.8705 ± 0.0006 Å
• c: 40.975 ± 0.003 Å
• α: 90°
• β: 112.402 ± 0.008°
• γ: 90°
• Cell volume: 32698 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.217
• Weighted residual factors for all reflections included in the refinement: 0.2829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No