Information card for entry 1543353

Structure parameters

• Chemical name: T2
• Formula: C120 H204 N84 O47.5 Pd12
• Calculated formula: C120 H204 N84 O47.4 Pd12
• Title of publication: Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting
• Authors of publication: Howlader, Prodip; Mukherjee, Partha Sarathi
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 5893
• a: 19.9984 ± 0.0008 Å
• b: 22.3102 ± 0.0009 Å
• c: 22.5607 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10065.9 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No