Information card for entry 4106895

Structure parameters

• Chemical name: YbFp2(THF)3
• Formula: C58 H80 Fe4 O15.5 Yb2
• Calculated formula: C58 H80 Fe4 O15.5 Yb2
• Title of publication: Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb)
• Authors of publication: Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15358 - 15361
• a: 10.1742 ± 0.0001 Å
• b: 11.0428 ± 0.0001 Å
• c: 15.7031 ± 0.0002 Å
• α: 106.925 ± 0.0006°
• β: 102.648 ± 0.0005°
• γ: 99.4417 ± 0.0006°
• Cell volume: 1597.11 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0278
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for all reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections included in the refinement: 0.0264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0766
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No