Information card for entry 7236616

Structure parameters

• Formula: C36 H45 N O13 Ti2
• Calculated formula: C36 H45 N O13 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: 9.6859 ± 0.0003 Å
• b: 21.755 ± 0.0006 Å
• c: 19.0222 ± 0.0005 Å
• α: 90°
• β: 93.686 ± 0.003°
• γ: 90°
• Cell volume: 4000 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1144
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No