Information card for entry 4066379

Structure parameters

• Formula: C28 H42 Cl F6 Fe P3 Ru
• Calculated formula: C28 H42 Cl F5.992 Fe P2.998 Ru
• SMILES: [Ru]123456([P]([c]78[Fe]9%10%11%12%13%14%15([cH]7[cH]9[cH]%10[cH]8%11)[c]7([P]1(CC)CC)[cH]%12[cH]%13[cH]%14[cH]%157)(CC)CC)([c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C)Cl.[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: 9.8697 ± 0.0011 Å
• b: 11.5712 ± 0.0013 Å
• c: 15.49 ± 0.002 Å
• α: 68.224 ± 0.01°
• β: 77.69 ± 0.01°
• γ: 72.681 ± 0.009°
• Cell volume: 1557.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0664
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No