Information card for entry 7708319

Structure parameters

• Formula: C416 H384 F36 N48 O103 Pd6 S16
• Calculated formula: C340 H240 F12 N48 O60 Pd6 S4
• 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: 31.691 ± 0.004 Å
• b: 31.691 ± 0.004 Å
• c: 31.686 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31823 ± 8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.2314
• Residual factor for significantly intense reflections: 0.1578
• Weighted residual factors for significantly intense reflections: 0.3837
• Weighted residual factors for all reflections included in the refinement: 0.4487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.389
• Diffraction radiation wavelength: 0.9 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No