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Information card for entry 2312390
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Coordinates | 2312390.cif |
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Structure factors | 2312390.hkl |
Original IUCr paper | HTML |
Common name | 1,4-Diiodoperchlorobenzene–naphthalene (1/1) |
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Chemical name | 1,2,4,5-Tetrachloro-3,6-diiodobenzene–naphthalene (1/1) |
Formula | C16 H8 Cl4 I2 |
Calculated formula | C16 H8 Cl4 I2 |
Title of publication | Co-crystal sustained by π-type halogen-bonding inter-actions between 1,4-di-iodo-perchloro-benzene and naphthalene. |
Authors of publication | Bosch, Eric; Reinheimer, Eric W.; Unruh, Daniel K.; Groeneman, Ryan H. |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2023 |
Journal volume | 79 |
Journal issue | Pt 10 |
Pages of publication | 958 - 961 |
a | 5.483 ± 0.0007 Å |
b | 6.4533 ± 0.0011 Å |
c | 12.171 ± 0.002 Å |
α | 87.274 ± 0.005° |
β | 85.912 ± 0.005° |
γ | 82.629 ± 0.009° |
Cell volume | 425.69 ± 0.11 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0172 |
Residual factor for significantly intense reflections | 0.0167 |
Weighted residual factors for significantly intense reflections | 0.0376 |
Weighted residual factors for all reflections included in the refinement | 0.0379 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
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289233 (current) | 2024-01-31 | cif/ hkl/ Adding structures of 2312390 via cif-deposit CGI script. |
2312390.cif 2312390.hkl |
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