Information card for entry 4336488

Structure parameters

• Formula: C128 H156 Cd2 N16 O20 S4
• Calculated formula: C128 H156 Cd2 N16 O20 S4
• Title of publication: Enantioselective Recognition and Separation of Racemic 1-Phenylethanol by a Pair of 2D Chiral Coordination Polymers
• Authors of publication: Zi-Jian Li; Jia Yao; Qian Tao; Long Jiang; Tong-Bu Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11694 - 11696
• a: 10.6881 ± 0.0004 Å
• b: 18.3271 ± 0.0007 Å
• c: 18.4365 ± 0.0009 Å
• α: 63.639 ± 0.004°
• β: 88.776 ± 0.003°
• γ: 83.366 ± 0.003°
• Cell volume: 3212.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2012
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No