Information card for entry 4066380

Structure parameters

• Formula: C32 H50 Cl F6 Fe P3 Ru
• Calculated formula: C32 H50 Cl F6 Fe P3 Ru
• SMILES: [Ru]123456(Cl)([P]([c]78[Fe]9%10%11%12%13%14%15([cH]7[cH]9[cH]%10[cH]8%11)[c]7([P]1(C(C)C)C(C)C)[cH]%12[cH]%13[cH]%14[cH]%157)(C(C)C)C(C)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ambi-Valence Taken Literally: Ruthenium vs Iron Oxidation in (1,1′-Diphosphinoferrocene)ruthenium(II) Hydride and Chloride Complexes as Deduced from Spectroelectrochemistry of the Heterodimetallic “Mixed-Valent” Intermediates†
• Authors of publication: Sixt, Torsten; Sieger, Monika; Krafft, Michael J.; Bubrin, Denis; Fiedler, Jan; Kaim, Wolfgang
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5511
• a: 14.326 ± 0.0012 Å
• b: 11.9585 ± 0.0013 Å
• c: 20.7019 ± 0.0018 Å
• α: 90°
• β: 105.778 ± 0.007°
• γ: 90°
• Cell volume: 3413 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No