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Information card for entry 4503380
Preview
Coordinates | 4503380.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H22 Cl3 F2 I N3 |
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Calculated formula | C31 H22 Cl3 F2 I N3 |
Title of publication | Cocrystallization of a Tripyridyl Donor with Perfluorinated Iodobenzene Derivatives: Formation of Different N···I Halogen Bonds Determining Network vs Plain Packing Crystals |
Authors of publication | Vartanian, Maida; Lucassen, André C. B.; Shimon, Linda J. W.; van der Boom, Milko E. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2008 |
Journal volume | 8 |
Journal issue | 3 |
Pages of publication | 786 |
a | 18.799 ± 0.0003 Å |
b | 5.7056 ± 0.0001 Å |
c | 27.4972 ± 0.0004 Å |
α | 90° |
β | 99.1894 ± 0.0008° |
γ | 90° |
Cell volume | 2911.49 ± 0.08 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0806 |
Residual factor for significantly intense reflections | 0.0682 |
Weighted residual factors for significantly intense reflections | 0.1988 |
Weighted residual factors for all reflections included in the refinement | 0.2106 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4503380.html
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