Information card for entry 7236019

Structure parameters

• Formula: C46.5 H41 Cl7 F6 N7 O6 P Ru
• Calculated formula: C46.5 H41 Cl7 F6 N7 O6 P Ru
• Title of publication: Cyclometalated ruthenium(ii) complexes with bis(benzimidazolyl)benzene for dye-sensitized solar cells
• Authors of publication: Shao, Jiang-Yang; Fu, Nianqing; Yang, Wen-Wen; Zhang, Chun-Yu; Zhong, Yu-Wu; Lin, Yuan; Yao, Jiannian
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 109
• Pages of publication: 90001
• a: 12.163 ± 0.003 Å
• b: 13.716 ± 0.003 Å
• c: 18.215 ± 0.004 Å
• α: 105.644 ± 0.002°
• β: 94.048 ± 0.002°
• γ: 115.759 ± 0.002°
• Cell volume: 2572.9 ± 1 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No