Information card for entry 7241660

Structure parameters

• Common name: Pd6L12
• Formula: C74 H84 Au2 I2 N8 Pd
• Calculated formula: C74 H84 Au2 I2 N8 Pd
• Title of publication: Confinement of a Au‒N-heterocyclic carbene in a Pd6L12 metal‒organic cage
• Authors of publication: Zeng, Lihua; Sun, Shujian; Wei, Zhang-Wen; Xin, Yu; Liu, Liping; Zhang, Jianyong
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 64
• Pages of publication: 39323 - 39327
• a: 29.8768 ± 0.0016 Å
• b: 29.8768 ± 0.0016 Å
• c: 74.341 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 57468 ± 5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2668
• Weighted residual factors for all reflections included in the refinement: 0.2821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No