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Information card for entry 4322347
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Coordinates | 4322347.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | trifluoromethyl iodine dichloride |
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Chemical name | trifluoromethyl iodine dichloride |
Formula | C Cl2 F3 I |
Calculated formula | C Cl2 F3 I |
SMILES | C(F)(F)([I](Cl)Cl)F |
Title of publication | A New Method for Preparation and Crystal Structure of (Trifluoromethyl)iodine Dichloride |
Authors of publication | Rolf Minkwitz; Michael Berkei |
Journal of publication | Inorganic Chemistry |
Year of publication | 1999 |
Journal volume | 38 |
Pages of publication | 5041 - 5044 |
a | 6.99 ± 0.001 Å |
b | 7.985 ± 0.001 Å |
c | 21.177 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1182 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 64 |
Hermann-Mauguin space group symbol | C m c e |
Hall space group symbol | -C 2ac 2 |
Residual factor for all reflections | 0.0554 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for all reflections | 0.1151 |
Weighted residual factors for significantly intense reflections | 0.0631 |
Goodness-of-fit parameter for all reflections | 1.876 |
Goodness-of-fit parameter for significantly intense reflections | 1.177 |
Diffraction radiation wavelength | 0.71069 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/4322347.html
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