Information card for entry 4336485

Structure parameters

• Formula: C100 H128 Cd2 Cl4 N16 O18 S4
• Calculated formula: C100 H120 Cd2 Cl4 N16 O18 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: 10.3479 ± 0.0002 Å
• b: 14.2287 ± 0.0002 Å
• c: 19.0288 ± 0.0002 Å
• α: 93.072 ± 0.001°
• β: 98.916 ± 0.001°
• γ: 107.714 ± 0.001°
• Cell volume: 2621.51 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No