Information card for entry 7057332

Structure parameters

• Formula: C66 H42 Ho N9 O6
• Calculated formula: C66 H42 Ho N9 O6
• Title of publication: Postsynthetic modification of single Pd sites into uncoordinated polypyridine groups of a MOF as the highly efficient catalyst for Heck and Suzuki reactions
• Authors of publication: Dong, Dapeng; Li, Zhenghua; Liu, Dedi; Yu, Naisen; Zhao, Haiyan; Chen, Huiying; Liu, Jia; Liu, Dongping
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 9317
• a: 33.823 ± 0.002 Å
• b: 13.7794 ± 0.001 Å
• c: 12.245 ± 0.0009 Å
• α: 90°
• β: 109.097 ± 0.0009°
• γ: 90°
• Cell volume: 5392.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No