Information card for entry 7700057

Structure parameters

• Formula: C34 H33 Cl2 N O0 P2 Ru
• Calculated formula: C34 H33 Cl2 N P2 Ru
• Title of publication: The MMCT excited state of a localized mixed valence cyanido-bridged Ru^II-Ru-Ru^II complex.
• Authors of publication: Su, Shao-Dong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Yang, Yu-Ying; Wen, Yue-Hong; Wu, Xin-Tao; Yang, Song-Qiu; Sheng, Tian-Lu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 25
• Pages of publication: 9303 - 9309
• a: 13.1304 ± 0.0014 Å
• b: 9.1192 ± 0.0009 Å
• c: 26.004 ± 0.003 Å
• α: 90°
• β: 90.552 ± 0.011°
• γ: 90°
• Cell volume: 3113.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No