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Information card for entry 1512260
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Coordinates | 1512260.cif |
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Original paper (by DOI) | HTML |
Common name | h24 TBAB clathrate hydrate |
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Chemical name | tetra-n-butylammonium bromide clathrate hydrate |
Formula | C16 H84 Br N O24 |
Calculated formula | C12 H27 Br0.651417 N0.75 O18.7925 |
Title of publication | Calorimetric and structural studies of tetrabutylammonium bromide ionic clathrate hydrates. |
Authors of publication | Rodionova, Tatyana V.; Komarov, Vladislav Yu; Villevald, Galina V.; Karpova, Tamara D.; Kuratieva, Natalia V.; Manakov, Andrey Yu |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2013 |
Journal volume | 117 |
Journal issue | 36 |
Pages of publication | 10677 - 10685 |
a | 23.492 ± 0.003 Å |
b | 23.492 ± 0.003 Å |
c | 38.021 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 20983 ± 6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 81 |
Hermann-Mauguin space group symbol | P -4 |
Hall space group symbol | P -4 |
Residual factor for all reflections | 0.2679 |
Residual factor for significantly intense reflections | 0.1987 |
Weighted residual factors for significantly intense reflections | 0.4307 |
Weighted residual factors for all reflections included in the refinement | 0.4984 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.83 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1512260.html
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