Information card for entry 4342782

Structure parameters

• Formula: C66 H42 F12 N10 P2 Ru2
• Calculated formula: C66 H42 F12 N10 P2 Ru2
• Title of publication: Combined Experimental and Computational Study of Pyren-2,7-diyl-Bridged Diruthenium Complexes with Various Terminal Ligands.
• Authors of publication: Yao, Chang-Jiang; Nie, Hai-Jing; Yang, Wen-Wen; Yao, Jiannian; Zhong, Yu-Wu
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4688 - 4698
• a: 8.693 ± 0.0017 Å
• b: 14.029 ± 0.003 Å
• c: 15.207 ± 0.003 Å
• α: 76.71 ± 0.03°
• β: 79.72 ± 0.03°
• γ: 76.24 ± 0.03°
• Cell volume: 1738 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No