Information card for entry 4313154

Structure parameters

• Formula: C17 H14 N8 S2 Zn
• Calculated formula: C17 H14 N8 S2 Zn
• Title of publication: Novel Pb and Zn Coordination Polymers: Synthesis, Molecular Structures, and Third-Order Nonlinear Optical Properties
• Authors of publication: Xiangru Meng; Yinglin Song; Hongwei Hou; Yaoting Fan; Gang Li; Yu Zhu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1306 - 1315
• a: 8.7858 ± 0.0018 Å
• b: 9.5635 ± 0.0019 Å
• c: 11.912 ± 0.002 Å
• α: 85.6 ± 0.03°
• β: 86.93 ± 0.03°
• γ: 81.38 ± 0.03°
• Cell volume: 985.8 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No