Information card for entry 7704040

Structure parameters

• Formula: C106 H112 N18 O36 Pd3 S
• Calculated formula: C106 H110 N18 O36 Pd3 S
• Title of publication: Diverse anion exchange of pliable [X₂@Pd₃L₄]⁴⁺ double cages: a molecular ruler for recognition of polyatomic anions.
• Authors of publication: Sarada, Ganguri; Kim, Ahreum; Kim, Dongwon; Jung, Ok-Sang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 6183 - 6190
• a: 24.117 ± 0.005 Å
• b: 16.548 ± 0.003 Å
• c: 37.143 ± 0.007 Å
• α: 90°
• β: 101.83 ± 0.03°
• γ: 90°
• Cell volume: 14508 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1446
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2715
• Weighted residual factors for all reflections included in the refinement: 0.3063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No