Information card for entry 7700162

Structure parameters

• Formula: C97 H42 F40 Fe2 O15
• Calculated formula: C97 H42 F40 Fe2 O15
• 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: 13.1423 ± 0.0008 Å
• b: 13.7532 ± 0.0006 Å
• c: 14.2588 ± 0.0006 Å
• α: 66.06 ± 0.001°
• β: 80.465 ± 0.002°
• γ: 81.042 ± 0.002°
• Cell volume: 2311.8 ± 0.2 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: 0.116
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No