Information card for entry 7241927

Structure parameters

• Formula: C62 H48 Cu N4 O11 S2
• Calculated formula: C62 H48 Cu N4 O11 S2
• Title of publication: Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies
• Authors of publication: Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 684 - 693
• a: 12.4189 ± 0.0004 Å
• b: 20.0829 ± 0.0006 Å
• c: 28.0298 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6990.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No