Information card for entry 1576415

Structure parameters

• Formula: C108 H106 N13 O12 Pd2 S3
• Calculated formula: C86 H69 N13 O9 Pd2 S
• Title of publication: Conformational Adaptability Enabled Higher-Order Self-Sorting Processes in Coordination Cages
• Authors of publication: Parbin, Minaz; Sivalingam, Vellaiyadevan; Venkatachalam, Ramkumar; Chand, Dillip Kumar
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 37.422 ± 0.005 Å
• b: 19.921 ± 0.003 Å
• c: 12.7873 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9533 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No