Information card for entry 4502234

Structure parameters

• Formula: C14.67 H13 Cd N0.33 O7.33 S
• Calculated formula: C14.67 H8 Cd N0.333333 O7.33333 S
• 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: 11.6534 ± 0.0003 Å
• b: 11.6534 ± 0.0003 Å
• c: 13.7499 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1617.09 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No