Information card for entry 7700160

Structure parameters

• Formula: C62 H10 F40 Fe2 O10
• Calculated formula: C62 H10 F40 Fe2 O10
• Title of publication: Guest encapsulations in non-porous crystals of fully fluorinated dinuclear metal complexes with the M₂O₂ core (M = Fe³⁺, Co²⁺, Ni²⁺).
• Authors of publication: Gonda, Ryu; Rzeznicka, Izabela I.; Kinoshita, Yuki; Uchida, Sayaka; Hori, Akiko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 25
• Pages of publication: 9062 - 9066
• a: 14.3286 ± 0.0012 Å
• b: 10.8784 ± 0.001 Å
• c: 19.099 ± 0.0014 Å
• α: 90°
• β: 98.836 ± 0.003°
• γ: 90°
• Cell volume: 2941.7 ± 0.4 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 5
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No