Information card for entry 4076038

Structure parameters

• Formula: C88 H78 Fe P4 Ru2
• Calculated formula: C88 H78 Fe P4 Ru2
• SMILES: C(#C[c]12[cH]3[Fe]4567891([c]1([cH]4[cH]5[cH]7[cH]91)C#C[Ru]14579([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]4[cH]5[cH]7[cH]91)[cH]3[cH]6[cH]28)[Ru]12345([P](c6ccccc6)(c6ccccc6)CC[P]5(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45.c1ccccc1.c1ccccc1
• Title of publication: Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium
• Authors of publication: Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5241
• a: 9.918 ± 0.003 Å
• b: 10.71 ± 0.003 Å
• c: 17.525 ± 0.005 Å
• α: 89.258 ± 0.005°
• β: 84.795 ± 0.005°
• γ: 72.66 ± 0.005°
• Cell volume: 1769.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for all reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No