Information card for entry 1576843

Structure parameters

• Chemical name: PdOF-1(B)
• Formula: C7 H10 O3.5 Pd S1.5
• Calculated formula: C6 H7 O3 Pd S
• Title of publication: Two-Dimensional Pd–C Bonded Organometallic Framework with Dynamic Packing Transformations
• Authors of publication: Jung, Jong-Yeong; Kim, Jaewook; Gong, Jintaek; Kim, Dongwook; Song, Hyunjoon; Lee, Hee-Seung
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 9.602 ± 0.0019 Å
• b: 8.005 ± 0.0016 Å
• c: 12.364 ± 0.003 Å
• α: 90°
• β: 90.43 ± 0.03°
• γ: 90°
• Cell volume: 950.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 5
• 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: 0.1439
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.2396
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: monochromaticsynchrotronradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No