Information card for entry 7230729

Structure parameters

• Formula: C26 H28 Cu F6 N4 O9 S2
• Calculated formula: C26 H16 Cu F6 N4 O9 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: 28.576 ± 0.002 Å
• b: 28.576 ± 0.002 Å
• c: 17.986 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14687.1 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.2183
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No