Information card for entry 1569422

Structure parameters

• Common name: Phenyl Biaryl Alcohol-2,6-Iodine (absorbed in crystalline sponge)
• Chemical name: 3,5-diiodo-2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)
• Formula: C22.86 H16.22 I3.75 N6 O0.37 Zn1.5
• Calculated formula: C22.8571 H16.2183 I3.74725 N6 O0.373625 Zn1.5
• Title of publication: A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
• Authors of publication: Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
• Journal of publication: IUCrJ
• Year of publication: 2023
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 497 - 508
• a: 14.778 ± 0.0005 Å
• b: 18.2345 ± 0.0005 Å
• c: 30.797 ± 0.0005 Å
• α: 98.227 ± 0.002°
• β: 91.736 ± 0.002°
• γ: 113.055 ± 0.003°
• Cell volume: 7523.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1003
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.2964
• Weighted residual factors for all reflections included in the refinement: 0.307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.356
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No