Information card for entry 4317319

Structure parameters

• Formula: C50 H40 Cl9 Fe2 N4 O6 Ru2
• Calculated formula: C50 H40 Cl9 Fe2 N4 O6 Ru2
• SMILES: [Ru]1234([Ru](Cl)([O]=C([c]56[Fe]789%10%11%12%13([cH]5[cH]7[cH]8[cH]69)[cH]5[cH]%13[cH]%12[cH]%11[cH]%105)O1)(OC(=[O]2)C12[Fe]56789%10%11([cH]1[cH]5[cH]6[cH]27)[cH]1[cH]%11[cH]%10[cH]9[cH]81)([N](=CN3c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)N(C=[N]4c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)[OH]C.OC
• 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: 11.8533 ± 0.0004 Å
• b: 20.6367 ± 0.0006 Å
• c: 21.9307 ± 0.0005 Å
• α: 90°
• β: 90.151 ± 0.002°
• γ: 90°
• Cell volume: 5364.5 ± 0.3 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No