Information card for entry 4317318

Structure parameters

• Formula: C52 H34 Cl17 Fe N6 O2 Ru2
• Calculated formula: C52 H34 Cl17 Fe N6 O2 Ru2
• SMILES: [Ru]1234([Ru]([O]=C(O1)[c]15[Fe]6789%10%11%12([cH]1[cH]6[cH]7[cH]58)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)([N](=CN2c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)(N(C=[N]3c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)[N](=CN4c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)Cl.ClCCl.ClCCl
• Title of publication: Diruthenium Compounds Bearing Equatorial Fc-containing Ligands: Synthesis and Electronic Structure
• Authors of publication: Darryl A. Boyd; Zhi Cao; You Song; Tian-Wei Wang; Phillip E. Fanwick; Robert J. Crutchley; Tong Ren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11525 - 11531
• a: 11.0193 ± 0.0007 Å
• b: 13.2813 ± 0.0012 Å
• c: 23.3502 ± 0.0014 Å
• α: 92.435 ± 0.007°
• β: 101.542 ± 0.005°
• γ: 114.358 ± 0.005°
• Cell volume: 3020.1 ± 0.4 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No