Information card for entry 1569413

Structure parameters

• Common name: Benzyl Biaryl Alcohol (absorbed in crystalline sponge)
• Chemical name: (2',6'-dimethyl-[1,1'-biphenyl]-2-yl)methanol (absorbed into crystalline sponge)
• Formula: C55.92 H45.25 I6 N12 O1.33 Zn3
• Calculated formula: C55.923 H45.2512 I6 N12 O1.3282 Zn3
• 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: 35.6703 ± 0.0005 Å
• b: 14.9029 ± 0.0002 Å
• c: 30.5678 ± 0.0006 Å
• α: 90°
• β: 102.121 ± 0.0015°
• γ: 90°
• Cell volume: 15887.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No