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Information card for entry 7201032
Preview
| Coordinates | 7201032.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | iodomethane |
|---|---|
| Chemical name | iodomethane |
| Formula | C H3 I |
| Calculated formula | C H3 I |
| Title of publication | High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations, |
| Authors of publication | Podsiadło, Marcin; Katrusiak, Andrzej |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 9 |
| Pages of publication | 1951 |
| a | 4.4968 ± 0.0009 Å |
| b | 6.8417 ± 0.0014 Å |
| c | 9.941 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 305.84 ± 0.11 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Ambient diffracton pressure | 530000 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 | 0.0276 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0631 |
| Weighted residual factors for all reflections included in the refinement | 0.0639 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180341 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/10. |
7201032.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201032.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201032.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201032.cif |
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Users of the data should acknowledge the original authors of the
structural data.