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Information card for entry 1502709
Preview
Coordinates | 1502709.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | tetrabutylammonium chloride TS I clathrate hydrate |
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Chemical name | tetrabutylammonium chloride clathrate hydrate |
Formula | C16 H96 Cl N O30 |
Calculated formula | C16.3392 H36 Cl0.4928 N1.8 O33.144 |
Title of publication | Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. |
Authors of publication | Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2010 |
Journal volume | 114 |
Journal issue | 36 |
Pages of publication | 11838 - 11846 |
a | 23.5211 ± 0.0007 Å |
b | 23.5211 ± 0.0007 Å |
c | 12.488 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6908.9 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 84 |
Hermann-Mauguin space group symbol | P 42/m |
Hall space group symbol | -P 4c |
Residual factor for all reflections | 0.1602 |
Residual factor for significantly intense reflections | 0.1392 |
Weighted residual factors for significantly intense reflections | 0.4385 |
Weighted residual factors for all reflections included in the refinement | 0.4687 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1502709.html
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