Information card for entry 7241926

Structure parameters

• Formula: C166 H154 Co2 N14 O29 S4
• Calculated formula: C166 H154 Co2 N14 O29 S4
• 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: 14.095 ± 0.002 Å
• b: 15.145 ± 0.002 Å
• c: 19.285 ± 0.003 Å
• α: 91.022 ± 0.008°
• β: 102.243 ± 0.007°
• γ: 97.748 ± 0.008°
• Cell volume: 3981.8 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No