Information card for entry 4000053

Structure parameters

• Formula: C16 H12 N2 O4 Zn
• Calculated formula: C16 H12 N2 O4 Zn
• 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: 10.3518 ± 0.0008 Å
• b: 22.4134 ± 0.0018 Å
• c: 8.3186 ± 0.0007 Å
• α: 90°
• β: 126.149 ± 0.001°
• γ: 90°
• Cell volume: 1558.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No