Information card for entry 7708317

Structure parameters

• Formula: C107 H111 Br6 N17 O21 Pd3
• Calculated formula: C89.96 H72.92 Br6 N13 O14.48 Pd3
• Title of publication: Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions
• Authors of publication: Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 14.785 ± 0.003 Å
• b: 26.13 ± 0.005 Å
• c: 15.368 ± 0.003 Å
• α: 90°
• β: 108.44 ± 0.03°
• γ: 90°
• Cell volume: 5632 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1244
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No