Information card for entry 7700163

Structure parameters

• Formula: C70 H20 F40 Fe2 O10
• Calculated formula: C70 H20 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: 10.4539 ± 0.0018 Å
• b: 12.401 ± 0.002 Å
• c: 14.275 ± 0.003 Å
• α: 93.903 ± 0.005°
• β: 108.901 ± 0.005°
• γ: 95.072 ± 0.005°
• Cell volume: 1734.7 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0798
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No