Information card for entry 7708294

Structure parameters

• Formula: C78 H96 Cr2 Fe4 Ho2 N4 O24
• Calculated formula: C78 H96 Cr2 Fe4 Ho2 N4 O24
• 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: 15.2579 ± 0.0005 Å
• b: 16.7324 ± 0.0005 Å
• c: 15.9113 ± 0.0005 Å
• α: 90°
• β: 103.066 ± 0.001°
• γ: 90°
• Cell volume: 3957 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No