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Information card for entry 1501749
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Coordinates | 1501749.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | pentaguanidinium diethoxysolfo-fluoro-sulfate |
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Chemical name | pentaguanidinium diethoxysolfo-fluoro-sulfate |
Formula | C9 H40 F N15 O12 S3 |
Calculated formula | C9 H40 F N15 O12 S3 |
Title of publication | Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. |
Authors of publication | Szafrański, Marek |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2011 |
Journal volume | 115 |
Journal issue | 34 |
Pages of publication | 10277 - 10284 |
a | 20.272 ± 0.005 Å |
b | 10.583 ± 0.003 Å |
c | 14.327 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3073.7 ± 1.3 Å3 |
Cell temperature | 298 ± 1 K |
Ambient diffraction temperature | 298 ± 1 K |
Number of distinct elements | 6 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.1271 |
Residual factor for significantly intense reflections | 0.0532 |
Weighted residual factors for significantly intense reflections | 0.1603 |
Weighted residual factors for all reflections included in the refinement | 0.1865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
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/1501749.html
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