Information card for entry 7713039

Structure parameters

• Formula: C224 H256 F30 N66 O6 Pd8 Si5
• Calculated formula: C224 H256 F30 N66 O6 Pd8 Si5
• Title of publication: A Pd4L2 Cage Containing Brønsted-Base Active Sites for One-Pot Photooxidation/Knoevenagel Condensation Reaction
• Authors of publication: Zhou, Yan-Fang; Yan, Dan-Ni; Hu, Shao-Jun; Zhou, Lipeng; Cai, Li-Xuan; Sun, Qing-Fu
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 19.7341 ± 0.0008 Å
• b: 58.059 ± 0.002 Å
• c: 18.5454 ± 0.0007 Å
• α: 90°
• β: 114.463 ± 0.004°
• γ: 90°
• Cell volume: 19340.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1773
• Residual factor for significantly intense reflections: 0.1543
• Weighted residual factors for significantly intense reflections: 0.3959
• Weighted residual factors for all reflections included in the refinement: 0.4092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.482
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No