Information card for entry 7700389

Structure parameters

• Formula: C66 H68 Fe3 N13 O25
• Calculated formula: C66 H48 Fe3 N13 O24.5
• Title of publication: Solvent-assisted structural conversion involving bimetallic complexes based on the tris(oxalato)ferrate(iii) unit with the green \ρightarrow blue →red crystal color sequence.
• Authors of publication: Muzioł, Tadeusz M; Tereba, Natalia; Podgajny, Robert; Kędziera, Dariusz; Wrzeszcz, Grzegorz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11536 - 11546
• a: 22.8905 ± 0.0014 Å
• b: 13.7526 ± 0.001 Å
• c: 22.5276 ± 0.0016 Å
• α: 90°
• β: 93.211 ± 0.006°
• γ: 90°
• Cell volume: 7080.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0964
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No