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Information card for entry 4121298
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Coordinates | 4121298.cif |
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Original paper (by DOI) | HTML |
Formula | B4 Be4 Na2 O11 |
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Calculated formula | B4 Be4 Na2 O11 |
SMILES | B([O-])([O-])OB([O-])[O-].[Na+].[Be+2].[O-]B([O-])[O-].[O-]B([O-])[O-].[Be+2].[Na+].[Be+2].[Be+2] |
Title of publication | Deep-Ultraviolet Nonlinear Optical Materials: Na2Be4B4O11 and LiNa5Be12B12O33 |
Authors of publication | Hongwei Huang; Lijuan Liu; Shifeng Jin; Wenjiao Yao; Yihe Zhang; Chuangtian Chen |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 18319 - 18322 |
a | 8.8444 ± 0.0016 Å |
b | 15.2496 ± 0.0024 Å |
c | 12.7402 ± 0.0023 Å |
α | 89.935 ± 0.019° |
β | 110.35 ± 0.003° |
γ | 89.9883 ± 0.0026° |
Cell volume | 1611.1 ± 0.5 Å3 |
Cell temperature | 153.15 K |
Ambient diffraction temperature | 153.15 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0406 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0408 |
Weighted residual factors for all reflections included in the refinement | 0.043 |
Goodness-of-fit parameter for significantly intense reflections | 1.18 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4121298.html
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