Information card for entry 7126228

Structure parameters

• Formula: C33.85 H24 F10 I2 N2 O2 S2
• Calculated formula: C33.85 H24 F10 I2 N2 O2 S2
• Title of publication: Large negative linear compressibility of a porous molecular co-crystal.
• Authors of publication: Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 31
• Pages of publication: 4324 - 4327
• a: 17.2451 ± 0.0006 Å
• b: 27.2415 ± 0.0016 Å
• c: 7.9554 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3737.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1592
• Residual factor for significantly intense reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.2469
• Weighted residual factors for all reflections included in the refinement: 0.2726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No