Information card for entry 7708322

Structure parameters

• Formula: C93 H88 Br2.63 I3.37 N12 O17 Pd3 S4
• Calculated formula: C84 H60 Br2.633 I3.367 N12 O12 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: 17.2568 ± 0.0007 Å
• b: 22.2766 ± 0.0009 Å
• c: 25.6771 ± 0.0011 Å
• α: 90°
• β: 93.894 ± 0.003°
• γ: 90°
• Cell volume: 9848.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1347
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No