Information card for entry 7109094

Structure parameters

• Chemical name: [{Ca(NacNac)(THF)}2{Cp4Fe5(CO)8}]
• Formula: C94 H118 Ca2 Fe5 N4 O10
• Calculated formula: C94 H118 Ca2 Fe5 N4 O10
• Title of publication: Synthesis and reactions of beta-diketiminate-supported complexes with Mg-Fe or Yb-Fe bonds
• Authors of publication: Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3315
• a: 11.547 ± 0.0003 Å
• b: 12.4516 ± 0.0003 Å
• c: 17.7694 ± 0.0006 Å
• α: 73.007 ± 0.002°
• β: 86.687 ± 0.002°
• γ: 63.809 ± 0.003°
• Cell volume: 2184.9 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for all reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0254
• Weighted residual factors for all reflections included in the refinement: 0.0253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1526
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No