Information card for entry 1569944

Structure parameters

• Formula: C517 H643 Au12 B12 Cl12 F48 N63 O28 Pd6
• Calculated formula: C517 H486 Au12 B12 Cl12 F48 N63 O28 Pd6
• Title of publication: Broadening the catalytic region from the cavity to windows by M₆L₁₂ nanospheres in cyclizations.
• Authors of publication: Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 42
• Pages of publication: 11699 - 11707
• a: 30.373 ± 0.003 Å
• b: 30.373 ± 0.003 Å
• c: 77.172 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 61655 ± 13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.3268
• Weighted residual factors for all reflections included in the refinement: 0.362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No