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CIF Information Card
Information card for 1100774
1100773 << 1100774 >> 1100775Preview
|
Coordinates |
1100774.cif |
Structure parameters
| Formula | - C14 H10 N8 Zn - |
| Calculated formula | - C14 H10 N8 Zn - |
| Title of publication | A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis |
| Authors of publication | Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 3618 - 3625 |
| a | 14.243 ± 0.0018 Å |
| b | 14.243 ± 0.0018 Å |
| c | 28.419 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5765.2 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | I -4 2 d |
| Hall symmetry space group | I -4 2bw |
| Residual factor for all reflections | 0.045 |
| Residual factor for observed reflections | 0.0317 |
| Weighted residual factors for the observed reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for observed reflections | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |