Information card for entry 4349474

Structure parameters

• Formula: C61 H129 Fe4 N11 O26 Y2
• Calculated formula: C57 H115 Fe4 N11 O24 Y2
• Title of publication: Understanding the magnetism of {Fe2Ln} dimers, step-by-step
• Authors of publication: Baca, S. G.; van Leusen, J.; Speldrich, M.; Kögerler, P.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 1071
• a: 14.423 ± 0.004 Å
• b: 17.383 ± 0.005 Å
• c: 18.109 ± 0.005 Å
• α: 92.839 ± 0.007°
• β: 104.682 ± 0.007°
• γ: 96.704 ± 0.007°
• Cell volume: 4347 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1165
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No