Information card for entry 7128677

Structure parameters

• Common name: DyL2
• Formula: C123 H184 Dy F9 O41 P8 S3
• Calculated formula: C122 H184 Dy F6 O38 P8 S2
• Title of publication: Phosphorylated-calix[4]arene double-deckers of single rare earth metal ions.
• Authors of publication: Hosseinzadeh, Marjan; Sanz, Sergio; van Leusen, Jan; Izarova, Natalya V.; Brechin, Euan K.; Dalgarno, Scott J.; Kögerler, Paul
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 65
• Pages of publication: 8087 - 8090
• a: 16.141 ± 0.004 Å
• b: 24.753 ± 0.006 Å
• c: 25.146 ± 0.007 Å
• α: 77.616 ± 0.007°
• β: 75.227 ± 0.007°
• γ: 86.972 ± 0.016°
• Cell volume: 9489 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2372
• Weighted residual factors for all reflections included in the refinement: 0.2608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No