Information card for entry 7046467

Structure parameters

• Formula: C37 H32 Cl2 N6 O4 Ru S2
• Calculated formula: C37 H32 Cl2 N6 O4 Ru S2
• Title of publication: The effect of cis-trans configurational difference on the performance of pyridylimine-based ruthenium sensitizers.
• Authors of publication: Tingare, Yogesh S.; Akula, Suri Babu; Shen, Ming-Tai; Su, Chaochin; Ho, Shih-Yu; Tsai, Sheng-Han; Lin, Ya-Fen; Li, Wen-Ren
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 25
• Pages of publication: 8356 - 8363
• a: 12.1605 ± 0.0004 Å
• b: 12.2206 ± 0.0004 Å
• c: 25.5273 ± 0.0008 Å
• α: 90°
• β: 93.388 ± 0.002°
• γ: 90°
• Cell volume: 3786.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No