Information card for entry 7700268

Structure parameters

• Formula: C10 H10 F6 N O10 P
• Calculated formula: C17.913 F1.91304 N0.869565 O4.17391 P0.347826
• Title of publication: A [2]pseudorotaxane based on a pillar[6]arene and its application in the construction of a metallosupramolecular polymer.
• Authors of publication: Xia, Danyu; Lv, Xiaoqing; Chen, Kexian; Wang, Pi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 9954 - 9958
• a: 13.5526 ± 0.0007 Å
• b: 23.8724 ± 0.0009 Å
• c: 35.3444 ± 0.0014 Å
• α: 90°
• β: 90.881 ± 0.004°
• γ: 90°
• Cell volume: 11433.7 ± 0.9 ų
• Cell temperature: 169.9 K
• Ambient diffraction temperature: 169.9 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3836
• Residual factor for significantly intense reflections: 0.2897
• Weighted residual factors for significantly intense reflections: 0.6071
• Weighted residual factors for all reflections included in the refinement: 0.6383
• Goodness-of-fit parameter for all reflections included in the refinement: 3.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No