Information card for entry 7120343

Structure parameters

• Formula: C132 H112 Cl2 N12 O22 P2 Ti6
• Calculated formula: C132 H112 Cl2 N12 O22 P2 Ti6
• 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: 14.6424 ± 0.0008 Å
• b: 15.0149 ± 0.0008 Å
• c: 15.2824 ± 0.0007 Å
• α: 79.639 ± 0.004°
• β: 84.629 ± 0.004°
• γ: 79.585 ± 0.004°
• Cell volume: 3244.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.2938
• Weighted residual factors for all reflections included in the refinement: 0.321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No