Information card for entry 4078285

Structure parameters

• Formula: C38 H44 Cl2 Fe N O5 P Ru
• Calculated formula: C38 H44 Cl2 Fe N O5 P Ru
• SMILES: COC(=O)CNC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)[P](c1ccccc1)(c1ccccc1)[Ru]12345([c]6([cH]5[cH]4[c]3([cH]2[cH]16)C)C(C)C)(Cl)Cl.CO.CO
• Title of publication: Heterodinuclear Arene Ruthenium Complexes Containing a Glycine-Derived Phosphinoferrocene Carboxamide: Synthesis, Molecular Structure, Electrochemistry, and Catalytic Oxidation Activity in Aqueous Media
• Authors of publication: Tauchman, Jiří; Therrien, Bruno; Süss-Fink, Georg; Štěpnička, Petr
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 3985
• a: 14.1705 ± 0.0006 Å
• b: 12.5822 ± 0.0004 Å
• c: 21.6166 ± 0.0008 Å
• α: 90°
• β: 98.452 ± 0.003°
• γ: 90°
• Cell volume: 3812.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1421
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.354
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No