Information card for entry 1574675

Structure parameters

• Formula: C38 H19 Hf0.99 N6 O17
• Calculated formula: C38 H19 Hf0.986 N6 O17
• Title of publication: Achieving highly efficient carbon radical-mediated cross-coupling reaction in a confined radical microenvironment within a metal–organic framework
• Authors of publication: Li, Ying-Lin; Li, Ning; Mei, Zhi-Bin; Li, Jun-Rong; Yao, Su-Juan; Yu, Fei; Li, Shun-Li; Lin, Jiao-Min; Liu, Jiang; Lan, Ya-Qian
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 11939 - 11948
• a: 14.6361 ± 0.0014 Å
• b: 21.52 ± 0.002 Å
• c: 11.8409 ± 0.0013 Å
• α: 90°
• β: 103.015 ± 0.004°
• γ: 90°
• Cell volume: 3633.7 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0276
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No