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Information card for entry 4513184
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Coordinates | 4513184.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis methyl iodide tetrakis-(4-iodophenyl) ethylene |
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Formula | C28 H22 I6 |
Calculated formula | C28 H22 I6 |
Title of publication | Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation |
Authors of publication | Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 7 |
Pages of publication | 3271 |
a | 9.5601 ± 0.0019 Å |
b | 15.112 ± 0.003 Å |
c | 22.597 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3264.6 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.049 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0636 |
Weighted residual factors for all reflections included in the refinement | 0.0706 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4513184.html
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structural data.