Information card for entry 4336486

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: 10.7036 ± 0.0003 Å
• b: 18.3229 ± 0.0004 Å
• c: 18.4237 ± 0.0005 Å
• α: 63.578 ± 0.002°
• β: 88.824 ± 0.002°
• γ: 83.348 ± 0.002°
• Cell volume: 3212.1 ± 0.16 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: 0.0891
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No