Information card for entry 7134034

Structure parameters

• Formula: C16 H14 Cl2 N2 O4 Pd
• Calculated formula: C16 H14 Cl2 N2 O4 Pd
• Title of publication: Post-synthetic modification of amine-functionalized permanently porous coordination cages
• Authors of publication: Hoq, Jahidul; Dworzak, Michael; Dissanayake, Duleeka; Skalla, Rebecca Xiumei; Yamamoto, Nobuyuki; Yap, Glenn P. A.; Bloch, Eric D.
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 13.1543 ± 0.0012 Å
• b: 8.5115 ± 0.0008 Å
• c: 16.4253 ± 0.0015 Å
• α: 90°
• β: 110.597 ± 0.005°
• γ: 90°
• Cell volume: 1721.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No