Information card for entry 7118787

Structure parameters

• Formula: C68 H86 N12 O17 Ti4
• Calculated formula: C68 H28 N12 O17 Ti4
• Title of publication: Dye molecule bonded titanium alkoxide: a possible new type of dye for sensitized solar cells.
• Authors of publication: Su, Hu-Chao; Wu, Yin-Yin; Hou, Jin-Le; Zhang, Guang-Ling; Zhu, Qin-Yu; Dai, Jie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 21
• Pages of publication: 4072 - 4075
• a: 17.367 ± 0.003 Å
• b: 17.367 ± 0.003 Å
• c: 13.73 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4141.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No