Information card for entry 4000055

Structure parameters

• Formula: C24 H16 Cd N2 O4
• Calculated formula: C24 H16 Cd N2 O4.35714
• Title of publication: Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks
• Authors of publication: Evans, Owen R.; Lin, Wenbin
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2705 - 2712
• a: 22.92 ± 0.02 Å
• b: 28.738 ± 0.017 Å
• c: 22.999 ± 0.013 Å
• α: 90°
• β: 94.908 ± 0.008°
• γ: 90°
• Cell volume: 15093 ± 19 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No