Information card for entry 4334801

Structure parameters

• Formula: C46 H40 Fe N2 P2 Ru
• Calculated formula: C46 H40 Fe N2 P2 Ru
• SMILES: [Ru]12([Fe]3456789%10([c]%11([cH]5[cH]6[cH]3[cH]4%11)N2)[c]2([cH]9[cH]%10[cH]7[cH]82)N1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Characterization of an Iron-Ruthenium Interaction in a Ferrocene Diamide Complex
• Authors of publication: Aaron G. Green; Matthew D. Kiesz; Jeremy V. Oria; Andrew G. Elliott; Andrew K. Buechler; Johannes Hohenberger; Karsten Meyer; Jeffrey I. Zink; Paula L. Diaconescu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5603 - 5610
• a: 11.1122 ± 0.0017 Å
• b: 19.886 ± 0.003 Å
• c: 20.054 ± 0.003 Å
• α: 80.89 ± 0.002°
• β: 76.215 ± 0.002°
• γ: 78.924 ± 0.002°
• Cell volume: 4194.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No