Information card for entry 4334802

Structure parameters

• Formula: C26 H32 Fe N2 P2 Ru
• Calculated formula: C26 H32 Fe N2 P2 Ru
• SMILES: C[P](C)(c1ccccc1)[Ru]12(N[c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%1024567[c]2([cH]3[cH]8[cH]9[cH]%102)N1)[P](C)(C)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: 14.384 ± 0.007 Å
• b: 10.44 ± 0.005 Å
• c: 16.969 ± 0.008 Å
• α: 90°
• β: 108.776 ± 0.005°
• γ: 90°
• Cell volume: 2413 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No