Information card for entry 7241925

Structure parameters

• Formula: C88 H66 Co N6 O12 S2
• Calculated formula: C88 H66 Co N6 O12 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: 10.9393 ± 0.0003 Å
• b: 13.6939 ± 0.0004 Å
• c: 15.4106 ± 0.0005 Å
• α: 64.935 ± 0.002°
• β: 85.116 ± 0.002°
• γ: 85.63 ± 0.002°
• Cell volume: 2081.48 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No