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Information card for entry 4503379
Preview
Coordinates | 4503379.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H21 F6 I6 N3 |
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Calculated formula | C39 H21 F6 I6 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 | 8.886 ± 0.0002 Å |
b | 15.9228 ± 0.0004 Å |
c | 29.1087 ± 0.0007 Å |
α | 90° |
β | 90.3244 ± 0.0011° |
γ | 90° |
Cell volume | 4118.52 ± 0.17 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0512 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.0885 |
Weighted residual factors for all reflections included in the refinement | 0.0904 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.243 |
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/4503379.html
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