Information card for entry 4506807

Structure parameters

• Formula: C18 H12 N6 O4 Zn
• Calculated formula: C18 H12 N6 O4 Zn
• Title of publication: Noncentrosymmetric Organic Solid and Its Zinc Coordination Polymer with Diamonded Network Prepared from an Ionothermal Reaction: Syntheses, Crystal Structures, and Second-Order Nonlinear Optics Properties
• Authors of publication: Wang, Yu-Ling; Fu, Jiang-Hong; Wei, Jia-Jia; Xu, Xiang; Li, Xin-Fa; Liu, Qing-Yan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 4663
• a: 12.4567 ± 0.0016 Å
• b: 20.188 ± 0.003 Å
• c: 8.1381 ± 0.001 Å
• α: 90°
• β: 115.55 ± 0.001°
• γ: 90°
• Cell volume: 1846.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No