Information card for entry 7230732

Structure parameters

• Formula: C22 H16.75 F6 Fe N4 O6.375 S2
• Calculated formula: C22 H16 F6 Fe N4 O6.376 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: 16.993 ± 0.009 Å
• b: 42.006 ± 0.002 Å
• c: 42.426 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30284 ± 16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.1085
• Weighted residual factors for significantly intense reflections: 0.3232
• Weighted residual factors for all reflections included in the refinement: 0.3311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.472
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No