Information card for entry 7246512

Structure parameters

• Formula: C79 H85 N5 O25 Sm2
• Calculated formula: C79 H85 N5 O25 Sm2
• 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: 9.6562 ± 0.0001 Å
• b: 11.6905 ± 0.0001 Å
• c: 35.064 ± 0.0004 Å
• α: 91.265 ± 0.001°
• β: 93.965 ± 0.001°
• γ: 93.603 ± 0.001°
• Cell volume: 3939.56 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0282
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No