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CIF Information Card
Information card for 1101226
1101225 << 1101226 >> 1200000Preview
|
Coordinates |
1101226.cif |
Structure parameters
| Formula | - C48 H33 N12 O1.5 Zn - |
| Calculated formula | - C48 H30 N12 O1.5 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 | 61.594 ± 0.009 Å |
| b | 15.968 ± 0.002 Å |
| c | 16.59 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16317 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | F d d 2 |
| Hall symmetry space group | F 2 -2d |
| Residual factor for all reflections | 0.136 |
| Residual factor for observed reflections | 0.0636 |
| Weighted residual factors for the observed reflections | 0.1402 |
| Weighted residual factors for all reflections included in the refinement | 0.1693 |
| Goodness-of-fit parameter for observed reflections | 0.795 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |