Information card for entry 7134448

Structure parameters

• Formula: C168 H200 B6 F24 N32 O38 Pd3 S14
• Calculated formula: C168 H200 B6 F24 N32 O38 Pd3 S14
• Title of publication: Multi-cavity discrete coordination cages encapsulating up to four units of pyrazine-N,N′-dioxide: molecular soybeans
• Authors of publication: Dakua, Trilochan; Mishra, Srabani Srotoswini; Kumar, Ashish; Krishnaswamy, Shobhana; Chand, Dillip Kumar
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 44
• Pages of publication: 8007 - 8010
• a: 16.149 ± 0.003 Å
• b: 26.246 ± 0.005 Å
• c: 30.52 ± 0.006 Å
• α: 90°
• β: 93.016 ± 0.007°
• γ: 90°
• Cell volume: 12918 ± 4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.14
• Residual factor for significantly intense reflections: 0.0943
• Weighted residual factors for significantly intense reflections: 0.2517
• Weighted residual factors for all reflections included in the refinement: 0.2909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No