Information card for entry 7057620

Structure parameters

• Formula: C28 H30 N8 O4 Ru S2
• Calculated formula: C28 H30 N8 O4 Ru S2
• Title of publication: Synthesis and characterization of carbene-pyridyl anchoring Ru(ii) dyes with various binding functionalities for photoelectrochemical cells
• Authors of publication: Akula, Suri Babu; Su, Chaochin; Wang, Hsiou-Hsuan; Chen, Huei-Siou; Li, Ting-Yu; Chen, Bo-Ren; Chang, Chih-Chien; Li, Wen-Ren
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 15245
• a: 19.0058 ± 0.0013 Å
• b: 10.2651 ± 0.0007 Å
• c: 15.674 ± 0.0011 Å
• α: 90°
• β: 90.833 ± 0.001°
• γ: 90°
• Cell volume: 3057.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No