Information card for entry 4133559

Structure parameters

• Formula: C508.8 H317.76 B16 F64 Fe8 N120 O7.68 Pd6
• Calculated formula: C508.8 H317.76 B16 F64 Fe8 N120 O7.68 Pd6
• Title of publication: Design and Enantioresolution of Homochiral Fe(II)-Pd(II) Coordination Cages from Stereolabile Metalloligands: Stereochemical Stability and Enantioselective Separation.
• Authors of publication: Hou, Ya-Jun; Wu, Kai; Wei, Zhang-Wen; Li, Kang; Lu, Yu-Lin; Zhu, Cheng-Yi; Wang, Jing-Si; Pan, Mei; Jiang, Ji-Jun; Li, Guang-Qin; Su, Cheng-Yong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 51
• Pages of publication: 18183 - 18191
• a: 32.5147 ± 0.0006 Å
• b: 32.5147 ± 0.0006 Å
• c: 37.7674 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 39927.9 ± 1.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No