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Information card for entry 7040836
Preview
Coordinates | 7040836.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Cl4 H2 O2 Rb2 Se |
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Calculated formula | Cl4 H2 O2 Rb2 Se |
SMILES | O.Cl[Se](=O)(Cl)(Cl)Cl.[Rb+].[Rb+] |
Title of publication | Rb2SeOCl4·H2O: a polar material among the alkali metal selenite halides with a strong SHG response. |
Authors of publication | Wu, Qi; Liu, Hongming; Kang, Lei; Lin, Zheshuai; Meng, Xianggao; Chen, Xingguo; Qin, Jingui |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 44 |
Pages of publication | 17723 - 17728 |
a | 10.342 ± 0.003 Å |
b | 10.124 ± 0.003 Å |
c | 9.158 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 958.9 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C m c 21 |
Hall space group symbol | C 2c -2 |
Residual factor for all reflections | 0.0396 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0754 |
Weighted residual factors for all reflections included in the refinement | 0.0781 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/7040836.html
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