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Information card for entry 7205401
Preview
Coordinates | 7205401.cif |
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Original paper (by DOI) | HTML |
Common name | 1,1,1-trichloroethane |
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Chemical name | 1,1,1-trichloroethane |
Formula | C2 H3 Cl3 |
Calculated formula | C2 H3 Cl3 |
SMILES | C(C)(Cl)(Cl)Cl |
Title of publication | Crystalline gas of 1,1,1-trichloroethane |
Authors of publication | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 2 |
Pages of publication | 396 |
a | 11.266 ± 0.002 Å |
b | 7.748 ± 0.008 Å |
c | 5.7183 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 499.1 ± 0.5 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Cell measurement pressure | 750000 kPa |
Ambient diffracton pressure | 750000 kPa |
Number of distinct elements | 3 |
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 | 0.0628 |
Residual factor for significantly intense reflections | 0.0586 |
Weighted residual factors for significantly intense reflections | 0.113 |
Weighted residual factors for all reflections included in the refinement | 0.1141 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.256 |
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/7205401.html
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