Information card for entry 7708271

Structure parameters

• Formula: C102 H156 N18 O18 Pd3 Si12
• Calculated formula: C102 H156 N18.004 O18.012 Pd3 Si12
• Title of publication: Trimetallic coordination cage formation for nitrate encapsulation: transformation of kinetic into thermodynamic products
• Authors of publication: Lim, Sangwoo; Moon, Heehun; Kim, Dongwon; Jung, Ok-Sang
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 16.8015 ± 0.0019 Å
• b: 21.405 ± 0.003 Å
• c: 26.184 ± 0.003 Å
• α: 90°
• β: 91.5032 ± 0.0018°
• γ: 90°
• Cell volume: 9413 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1443
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2232
• Weighted residual factors for all reflections included in the refinement: 0.2964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No