Information card for entry 7704037

Structure parameters

• Formula: C96 H104 Cl6 N12 O42 Pd3 S2
• Calculated formula: C96 H104 Cl6.142 N12 O42.568 Pd3 S2
• 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: 9.315 ± 0.0019 Å
• b: 22.198 ± 0.004 Å
• c: 28.653 ± 0.006 Å
• α: 90°
• β: 92.76 ± 0.03°
• γ: 90°
• Cell volume: 5918 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1274
• Residual factor for significantly intense reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.3047
• Weighted residual factors for all reflections included in the refinement: 0.3159
• Goodness-of-fit parameter for all reflections included in the refinement: 2.067
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No