Information card for entry 4502232

Structure parameters

• Formula: C60 H44 Cd2 Li2 N2 O20
• Calculated formula: C60 H44 Cd2 Li2 N2 O20
• 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: 23.3033 ± 0.0008 Å
• b: 23.3033 ± 0.0008 Å
• c: 6.5788 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3572.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No