Information card for entry 7236615

Structure parameters

• Formula: C36 H45 Br O11 Ti2
• Calculated formula: C36 H45 Br O11 Ti2
• Title of publication: Effects of co-coordinated auxiliary ligands on the photoelectrochemical behaviour of titanium-alkoxide-dyes
• Authors of publication: Guo, Yao; Hou, Jin-Le; Luo, Wen; Li, Zhao-Qi; Zou, Dan-Hong; Zhu, Qin-Yu; Dai, Jie
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 34
• Pages of publication: 18270
• a: 12.9644 ± 0.0012 Å
• b: 13.163 ± 0.0012 Å
• c: 23.03 ± 0.002 Å
• α: 90°
• β: 104.724 ± 0.003°
• γ: 90°
• Cell volume: 3801 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No