Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7200699
Preview
Coordinates | 7200699.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | chloroiodomethane |
---|---|
Chemical name | chloroiodomethane |
Formula | C H2 Cl I |
Calculated formula | C H2 Cl I |
SMILES | ICCl |
Title of publication | Electrostatic matching in phase IV of chloroiodomethane: a new aggregation pattern in the isostructural classes of dihalomethanes |
Authors of publication | Podsiadło, Marcin; Katrusiak, Andrzej |
Journal of publication | CrystEngComm |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 7 |
Pages of publication | 1391 |
a | 7.9666 ± 0.0016 Å |
b | 4.8702 ± 0.001 Å |
c | 21.351 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 828.4 ± 0.3 Å3 |
Cell temperature | 180 ± 0.1 K |
Ambient diffraction temperature | 295 ± 2 K |
Ambient diffracton pressure | 100 kPa |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0597 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.1431 |
Weighted residual factors for all reflections included in the refinement | 0.153 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
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/7200699.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.