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Information card for entry 2019423
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Coordinates | 2019423.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Dicaesium monohydrogen phosphate(V) dihydrate |
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Formula | Cs2 H5 O6 P |
Calculated formula | Cs2 H5 O6 P |
SMILES | [Cs+].[O-]P(=O)(O)[O-].[Cs+].O.O |
Title of publication | The isotypic hydrogen phosphate and arsenate dihydrates <i>M</i>~2~H<i>X</i>O~4~·2H~2~O (<i>M</i> = Rb, Cs; <i>X</i> = P, As) |
Authors of publication | Stöger, Berthold; Weil, Matthias |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 1 |
Pages of publication | 7 - 11 |
a | 7.4764 ± 0.0005 Å |
b | 14.1898 ± 0.001 Å |
c | 7.9535 ± 0.0006 Å |
α | 90° |
β | 116.88 ± 0.002° |
γ | 90° |
Cell volume | 752.61 ± 0.09 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.022 |
Residual factor for significantly intense reflections | 0.0197 |
Weighted residual factors for significantly intense reflections | 0.0323 |
Weighted residual factors for all reflections included in the refinement | 0.0332 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.61 |
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/2019423.html
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