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Information card for entry 1504378
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Coordinates | 1504378.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | chloroiodomethane |
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Chemical name | chloroiodomethane, polymorph III |
Formula | C H2 Cl I |
Calculated formula | C H2 Cl I |
SMILES | ICCl |
Title of publication | Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. |
Authors of publication | Podsiadło, Marcin; Katrusiak, Andrzej |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2008 |
Journal volume | 112 |
Journal issue | 17 |
Pages of publication | 5355 - 5362 |
a | 6.315 ± 0.0013 Å |
b | 6.5616 ± 0.0013 Å |
c | 8.6926 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 360.19 ± 0.12 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Ambient diffracton pressure | 1100000 kPa |
Number of distinct elements | 4 |
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 | 0.0256 |
Residual factor for significantly intense reflections | 0.0207 |
Weighted residual factors for significantly intense reflections | 0.0511 |
Weighted residual factors for all reflections included in the refinement | 0.0533 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
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/1504378.html
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