Information card for entry 4502228

Structure parameters

• Formula: C5.5 H6.5 Cd0.25 N0.75 O2
• Calculated formula: C5.5 H6.5 Cd0.25 N0.75 O2
• 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: 16.1192 ± 0.0001 Å
• b: 16.1192 ± 0.0001 Å
• c: 11.9893 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2697.81 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No