Information card for entry 1100757

Structure parameters

• Formula: C71 H98 Fe2 N6 O8
• Calculated formula: C70.8185 H97.4555 Fe2 N6 O8
• Title of publication: Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations
• Authors of publication: Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3626 - 3635
• a: 12.641 ± 0.002 Å
• b: 17.362 ± 0.003 Å
• c: 33.972 ± 0.006 Å
• α: 80.73 ± 0.011°
• β: 88.282 ± 0.011°
• γ: 85.548 ± 0.011°
• Cell volume: 7335 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0973
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No