Information card for entry 7230734

Structure parameters

• Formula: C22 H20 F6 Fe N4 O8 S2
• Calculated formula: C22 H20 F6 Fe N4 O8 S2
• Title of publication: Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system
• Authors of publication: Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 26
• Pages of publication: 3784
• a: 7.852 ± 0.003 Å
• b: 15.069 ± 0.006 Å
• c: 23.107 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2734.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No