Information card for entry 1100755

Structure parameters

• Formula: C41.5 H56.75 Fe N5.25 O6
• Calculated formula: C41.5 H56.75 Fe N5.25 O6
• 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: 15.1085 ± 0.0011 Å
• b: 17.2305 ± 0.0013 Å
• c: 18.5398 ± 0.0014 Å
• α: 109.456 ± 0.004°
• β: 111.06 ± 0.004°
• γ: 90.56 ± 0.004°
• Cell volume: 4200.6 ± 0.6 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: 0.1202
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No