Information card for entry 1571362

Structure parameters

• Formula: C157 H222 N66 O60.5 Pd8 S4
• Calculated formula: C157 H222 N66 O60.5 Pd8 S4
• Title of publication: A water-soluble Pd₄ molecular tweezer for selective encapsulation of isomeric quinones and their recyclable extraction.
• Authors of publication: Prajapati, Dharmraj; Bhandari, Pallab; Zangrando, Ennio; Mukherjee, Partha Sarathi
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 3616 - 3624
• a: 18.719 ± 0.004 Å
• b: 21.435 ± 0.004 Å
• c: 30.531 ± 0.006 Å
• α: 72.94 ± 0.03°
• β: 89.08 ± 0.03°
• γ: 88.27 ± 0.03°
• Cell volume: 11706 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No