Information card for entry 4106892

Structure parameters

• Chemical name: Mg{CpFe(CO)2}2(THF)4
• Formula: C30 H42 Fe2 Mg O8
• Calculated formula: C30 H42 Fe2 Mg O8
• 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: 10.7602 ± 0.0003 Å
• b: 26.2859 ± 0.0009 Å
• c: 11.0666 ± 0.0004 Å
• α: 90°
• β: 96.7772 ± 0.0014°
• γ: 90°
• Cell volume: 3108.22 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No