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Information card for entry 4106477
Preview
Coordinates | 4106477.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | B5 Be6 Cs Na2 O15 |
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Calculated formula | B5 Be6 Cs Na2 O15 |
SMILES | B([O-])([O-])[O-].[Be+2].[O-]B([O-])[O-].[Be+2].[Be+2].B([O-])([O-])[O-].[Cs+].[Na+].B([O-])([O-])[O-].[Be+2].[O-]B([O-])[O-].[Be+2].[Be+2].[Na+] |
Title of publication | Na2CsBe6B5O15: An Alkaline Beryllium Borate as a Deep-UV Nonlinear Optical Crystal |
Authors of publication | Shichao Wang; Ning Ye |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 11458 - 11461 |
a | 13.885 ± 0.004 Å |
b | 4.4332 ± 0.0009 Å |
c | 10.874 ± 0.002 Å |
α | 90° |
β | 103.141 ± 0.012° |
γ | 90° |
Cell volume | 651.8 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0192 |
Residual factor for significantly intense reflections | 0.0186 |
Weighted residual factors for significantly intense reflections | 0.0456 |
Weighted residual factors for all reflections included in the refinement | 0.0459 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4106477.html
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