Information card for entry 1575538

Structure parameters

• Formula: C220 H272 Cs1.04 N41 O41 Pd8
• Calculated formula: C220 H272 Cs1.054 N41 O41 Pd8
• Title of publication: Hosting of [Cs(crown ether)₂]⁺ type host-guest complexes by a nano-sized molecular cuboid.
• Authors of publication: Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 17127 - 17138
• a: 20.9332 ± 0.0016 Å
• b: 21.1999 ± 0.0016 Å
• c: 22.9084 ± 0.0016 Å
• α: 70.521 ± 0.002°
• β: 69.36 ± 0.002°
• γ: 63.971 ± 0.002°
• Cell volume: 8353.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1256
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1918
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No