Information card for entry 4077004

Structure parameters

• Formula: C80 H69 Cl4 F10 Fe N9 P2 Ru2 Sb
• Calculated formula: C80 H61 Cl4 F10 Fe N9 P2 Ru2 Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Ru]1234([Ru](N(c5[n]2cccc5)c2c(F)cccc2)(N(c2[n]3cccc2)c2c(F)cccc2)(N(c2[n]4cccc2)c2c(F)cccc2)[n]2c(N1c1c(F)cccc1)cccc2)[N]#C[Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51.C(CCl)Cl.C(CCl)Cl
• 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: 12.4481 ± 0.0004 Å
• b: 18.0513 ± 0.0005 Å
• c: 18.085 ± 0.0004 Å
• α: 90.294 ± 0.001°
• β: 93.478 ± 0.001°
• γ: 104.852 ± 0.001°
• Cell volume: 3919.88 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1627
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No