Information card for entry 4087482

Structure parameters

• Chemical name: (1,3,5-Tris(ferrocenylethindiyl)-η^6^-benzene) (η^5^-cyclopentadienyl)ruthenium(II) hexafluoridophosphate
• Formula: C50 H41 F6 Fe3 O P Ru
• Calculated formula: C50 H41 F6 Fe3 O P Ru
• Title of publication: Stille Cross-Coupling Reaction with Cationic [(η5-Cp)(η6-C6H6‒xIx)Ru]+ Complexes as Key for Ethynyl-Bridged Homo- and Heteronuclear Sandwich Compounds
• Authors of publication: Ziemann, Elisabeth A.; Baljak, Sladjana; Steffens, Stefan; Stein, Timo; Van Steerteghem, Nick; Asselberghs, Inge; Clays, Koen; Heck, Jürgen
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1692
• a: 11.627 ± 0.0003 Å
• b: 12.2072 ± 0.0004 Å
• c: 16.9848 ± 0.0005 Å
• α: 70.777 ± 0.001°
• β: 88.675 ± 0.001°
• γ: 69.777 ± 0.001°
• Cell volume: 2124.75 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0598
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No