Information card for entry 4077003

Structure parameters

• Formula: C88 H75 Cl2 F6 N9 P2 Ru3 Sb
• Calculated formula: C88 H75 Cl2 F6 N9 P2 Ru3 Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Ru]1234[Ru]([N]#C[Ru]5678([P](c9ccccc9)(c9ccccc9)c9ccccc9)([P](c9ccccc9)(c9ccccc9)c9ccccc9)[cH]9[cH]5[cH]6[cH]7[cH]89)([n]5c(N1c1ccccc1)cccc5)([n]1c(N2c2ccccc2)cccc1)([n]1c(N3c2ccccc2)cccc1)[n]1c(N4c2ccccc2)cccc1.ClCCCl
• Title of publication: Utilizing Diruthenium Components for the Design of Cyanide-Linked Tri- and Tetranuclear Organometallic Complexes with Multistep One-Electron Redox Processes
• Authors of publication: Zhang, Li-Yi; Chen, Jing-Lin; Shi, Lin-Xi; Chen, Zhong-Ning
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5919
• a: 13.7072 ± 0.0002 Å
• b: 18.5242 ± 0.0003 Å
• c: 34.9186 ± 0.0001 Å
• α: 90°
• β: 97.376 ± 0.001°
• γ: 90°
• Cell volume: 8792.98 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1443
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2102
• Weighted residual factors for all reflections included in the refinement: 0.2589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No