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Information card for entry 7043232
Preview
| Coordinates | 7043232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B11 Ca2 H7 O22 |
|---|---|
| Calculated formula | B11 Ca2 H7 O22 |
| Title of publication | Two Deep-Ultraviolet Nonlinear Optical Alkaline-Earth Metal Borates Based on Different Types of Oxoboron Clusters |
| Authors of publication | Yang, Guo-Yu; Wei, Qi; Sun, Li; Zhang, Jie |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 6.51 ± 0.0004 Å |
| b | 20.4228 ± 0.0008 Å |
| c | 6.6513 ± 0.0005 Å |
| α | 90° |
| β | 119.029 ± 0.009° |
| γ | 90° |
| Cell volume | 773.21 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197197 (current) | 2017-06-03 | cif/ Adding structures of 7043232, 7043233 via cif-deposit CGI script. |
7043232.cif |
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