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Information card for entry 1504395
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1504395.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | chloroform |
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Chemical name | trichloromethane |
Formula | C H Cl3 |
Calculated formula | C H Cl3 |
Title of publication | Polar symmetry in new high-pressure phases of chloroform and bromoform. |
Authors of publication | Dziubek, Kamil F.; Katrusiak, Andrzej |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2008 |
Journal volume | 112 |
Journal issue | 38 |
Pages of publication | 12001 - 12009 |
a | 5.8868 ± 0.0016 Å |
b | 5.8868 ± 0.0016 Å |
c | 6.6541 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 199.7 ± 0.08 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 3 |
Space group number | 173 |
Hermann-Mauguin space group symbol | P 63 |
Hall space group symbol | P 6c |
Residual factor for all reflections | 0.0346 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.0759 |
Weighted residual factors for all reflections included in the refinement | 0.0804 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.813 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1504395.html
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