Information card for entry 7708296

Structure parameters

• Formula: C78 H96 Cr2 Fe4 N4 O24 Y2
• Calculated formula: C78 H96 Cr2 Fe4 N4 O24 Y2
• Title of publication: Tetranuclear Cr-Ln ferrocenecarboxylate complexes with defect-dicubane structure: synthesis, magnetism, and thermolysis
• Authors of publication: Koroteev, Pavel Sergeevich; Dobrohotova, Zhanna; Ilyukhin, Andrey; Belova, Ekaterina V.; Yaprynsev, Alexey D.; Rouzières, Mathieu; Clerac, Rodolphe; Efimov, N. N.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 15.0033 ± 0.0005 Å
• b: 17.1273 ± 0.0005 Å
• c: 15.6663 ± 0.0005 Å
• α: 90°
• β: 100.148 ± 0.001°
• γ: 90°
• Cell volume: 3962.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No