Information card for entry 1549079

Structure parameters

• Formula: C43 H29 N6 O4 Ru
• Calculated formula: C43 H29 N6 O4 Ru
• SMILES: [Ru]1234(OC(=O)c5[n]4c4c(c([O-])c5)cccc4O1)[n]1c(cccc1c1[n]3c3ccccc3n1Cc1ccccc1)c1[n]2c2ccccc2n1Cc1ccccc1
• Title of publication: TiO2 modified with a Ru(ii)‒N′NN′ 8-hydroxyquinolyl complex for efficient gaseous photoreduction of CO2
• Authors of publication: Xiang, Wenjing; Li, Lin; Dai, Zengjin; Meng, Xianggao; Li, Renjie; Zhang, Jing; Peng, Tianyou
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 2098
• a: 12.139 ± 0.009 Å
• b: 15.53 ± 0.011 Å
• c: 24.301 ± 0.017 Å
• α: 90°
• β: 98.77 ± 0.011°
• γ: 90°
• Cell volume: 4528 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1226
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1868
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No