Information card for entry 7708320

Structure parameters

• Formula: C97 H88 I12 N14 O16 Pd3
• Calculated formula: C97.5041 H90.0082 I7.0082 N15 O17 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: 17.007 ± 0.003 Å
• b: 18.398 ± 0.004 Å
• c: 21.837 ± 0.004 Å
• α: 90.09 ± 0.03°
• β: 107.51 ± 0.03°
• γ: 116.28 ± 0.03°
• Cell volume: 5770 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2644
• Weighted residual factors for all reflections included in the refinement: 0.2971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No