Information card for entry 1572012

Structure parameters

• Formula: C224 H168 N29 O83 Pd5 S6
• Calculated formula: C224 H168 N29 O83 Pd5 S6
• Title of publication: A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage.
• Authors of publication: Sharma, Shruti; Krishnaswamy, Shobhana; Prusty, Soumyakanta; Chand, Dillip Kumar
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 11287 - 11301
• a: 40.82 ± 0.06 Å
• b: 40.82 ± 0.06 Å
• c: 24.82 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 41357 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.1436
• Residual factor for significantly intense reflections: 0.1068
• Weighted residual factors for significantly intense reflections: 0.2758
• Weighted residual factors for all reflections included in the refinement: 0.3308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.334
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No