Information card for entry 8105729

Structure parameters

• Formula: C36 H24 F12 N2 P2
• Calculated formula: C36 H24 F12 N2 P2
• Title of publication: The crystal structure of 1,3(4,1)-dipyridin-1-iuma-2(1,8)-diethynylanthracena-5(1,3)-benzenacyclohexaphane-11,31-diium bis(hexafluoridophosphate), C36H24F12N2P2
• Authors of publication: Hu, Xia; Zeng, Fei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 481 - 483
• a: 8.218 ± 0.007 Å
• b: 10.384 ± 0.009 Å
• c: 19.908 ± 0.017 Å
• α: 96.402 ± 0.012°
• β: 91.216 ± 0.012°
• γ: 101.161 ± 0.012°
• Cell volume: 1655 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1372
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No