Information card for entry 7700058

Structure parameters

• Formula: C100.6 H103.2 Cl1.2 F12 N10 P6 Ru4
• Calculated formula: C100.6 H103.2 Cl1.2 F12 N10 P6 Ru4
• 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: 28.64 ± 0.006 Å
• b: 22.121 ± 0.004 Å
• c: 21.051 ± 0.005 Å
• α: 90°
• β: 121.458 ± 0.003°
• γ: 90°
• Cell volume: 11377 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.069
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No