Information card for entry 7246516

Structure parameters

• Formula: C54 H50 Gd2 N2 O17
• Calculated formula: C54 H50 Gd2 N2 O17
• Title of publication: (Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker
• Authors of publication: Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 2353 - 2358
• a: 9.7244 ± 0.0006 Å
• b: 13.8269 ± 0.0008 Å
• c: 22.6816 ± 0.0014 Å
• α: 83.161 ± 0.004°
• β: 79.17 ± 0.004°
• γ: 84.514 ± 0.004°
• Cell volume: 2965.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No