Information card for entry 1574779

Structure parameters

• Formula: C200.14 H203.01 Cl24 N31.63 O10.62 Pd12
• Calculated formula: C200.138 H203.004 Cl24 N31.63 O10.624 Pd12
• Title of publication: Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework.
• Authors of publication: Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 27
• Pages of publication: 12303 - 12308
• a: 14.3191 ± 0.0003 Å
• b: 52.5328 ± 0.001 Å
• c: 19.6294 ± 0.0004 Å
• α: 90°
• β: 91.234 ± 0.001°
• γ: 90°
• Cell volume: 14762.3 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No