Information card for entry 7719624

Structure parameters

• Formula: C110 H102 N18 O25 Pd2 S5
• Calculated formula: C110 H102 N18 O25 Pd2 S5
• Title of publication: Isomeric double-cavity coordination cages: to encapsulate or not to encapsulate the guest
• Authors of publication: Kumar, Ashish; Krishnaswamy, Shobhana; Chand, Dillip Kumar
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 15.122 ± 0.0009 Å
• b: 30.6895 ± 0.0018 Å
• c: 31.069 ± 0.002 Å
• α: 90°
• β: 98.171 ± 0.002°
• γ: 90°
• Cell volume: 14272.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No