Information card for entry 7708318

Structure parameters

• Formula: C210 H210 Cl12 N30 O42 Pd6
• Calculated formula: C181 H149 Cl12 N27 O29 Pd6
• 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: 14.312 ± 0.003 Å
• b: 25.965 ± 0.005 Å
• c: 15.502 ± 0.003 Å
• α: 90°
• β: 107.69 ± 0.03°
• γ: 90°
• Cell volume: 5488 ± 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: 0.1063
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No