Information card for entry 7246519

Structure parameters

• Formula: C79 H85 Ho2 N5 O25
• Calculated formula: C79 H85 Ho2 N5 O25
• 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: 9.6157 ± 0.0009 Å
• b: 11.653 ± 0.0011 Å
• c: 34.944 ± 0.003 Å
• α: 91.143 ± 0.003°
• β: 94.27 ± 0.003°
• γ: 93.785 ± 0.004°
• Cell volume: 3894.9 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.043
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No