Information card for entry 7046503

Structure parameters

• Formula: C44 H46 Cl4 N8 O14.5 Pd2 Tb
• Calculated formula: C44 H32 Cl4 N8 O10 Pd2 Tb
• Title of publication: Tailoring the structure, pH sensitivity and catalytic performance in Suzuki-Miyaura cross-couplings of Ln/Pd MOFs based on the 1,1'-di(p-carboxybenzyl)-2,2'-diimidazole linker.
• Authors of publication: You, Li-Xin; Cui, Lan-Xin; Zhao, Bai-Bei; Xiong, Gang; Ding, Fu; Ren, Bao-Yi; Shi, Zhong-Liang; Dragutan, Ileana; Dragutan, Valerian; Sun, Ya-Guang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 26
• Pages of publication: 8755 - 8763
• a: 10.1189 ± 0.0004 Å
• b: 40.7335 ± 0.0017 Å
• c: 15.0742 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6213.3 ± 0.5 ų
• Cell temperature: 102.23 ± 0.1 K
• Ambient diffraction temperature: 102.23 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1558
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No