Information card for entry 7049775

Structure parameters

• Formula: C58 H59 F12 N9 P4 Ru2
• Calculated formula: C58 H59 F12 N9 P4 Ru2
• Title of publication: Influence of ligand substitution at the donor and acceptor center on MMCT in a cyanide-bridged mixed-valence system.
• Authors of publication: Zhang, Lin-Tao; Zhu, Xiao-Quan; Hu, Sheng-Min; Zhang, Yu-Xiao; Su, Shao-Dong; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 7809 - 7816
• a: 13.82 ± 0.003 Å
• b: 19.4 ± 0.004 Å
• c: 25.82 ± 0.005 Å
• α: 90°
• β: 101.65 ± 0.03°
• γ: 90°
• Cell volume: 6780 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No