Information card for entry 2312711

Structure parameters

• Formula: C26 H50 I6 N2 O4 S4
• Calculated formula: C26 H50 I6 N2 O4 S4
• Title of publication: Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
• Authors of publication: Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• Pages of publication: 751 - 759
• a: 9.7562 ± 0.0004 Å
• b: 13.3158 ± 0.0003 Å
• c: 18.6498 ± 0.0005 Å
• α: 72.055 ± 0.002°
• β: 86.424 ± 0.003°
• γ: 73.147 ± 0.003°
• Cell volume: 2205 ± 0.13 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0484
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes