Information card for entry 4502233

Structure parameters

• Formula: C34 H25 Cd Li N2 O14 S2
• Calculated formula: C34 H25 Cd Li N2 O14 S2
• Title of publication: A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties
• Authors of publication: Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 146
• a: 27.07 ± 0.04 Å
• b: 6.347 ± 0.002 Å
• c: 25.67 ± 0.03 Å
• α: 90°
• β: 107.93 ± 0.003°
• γ: 90°
• Cell volume: 4196 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No