Information card for entry 4077002

Structure parameters

• Formula: C77 H65 Cl2 F6 Fe N9 P2 Ru2 Sb
• Calculated formula: C77 H65 Cl2 F6 Fe N9 P2 Ru2 Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[N][Ru]1678[Ru](N(c9[n]1cccc9)c1ccccc1)(N(c1[n]6cccc1)c1ccccc1)(N(c1[n]7cccc1)c1ccccc1)N(c1[n]8cccc1)c1ccccc1)[cH]1[cH]5[cH]4[cH]3[cH]21.ClCCl
• 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: 13.8348 ± 0.0005 Å
• b: 17.1541 ± 0.0005 Å
• c: 17.6275 ± 0.0007 Å
• α: 94.777 ± 0.001°
• β: 107.022 ± 0.002°
• γ: 104.885 ± 0.001°
• Cell volume: 3808.7 ± 0.2 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: 0.2073
• Residual factor for significantly intense reflections: 0.1215
• Weighted residual factors for significantly intense reflections: 0.2668
• Weighted residual factors for all reflections included in the refinement: 0.3358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No