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Information card for entry 7114536
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Coordinates | 7114536.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2,4,6-Tris-(4-nitrophenoxy)-1,3,5-triazine, Tribromobenzene solvate |
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Formula | C27 H15 Br3 N6 O9 |
Calculated formula | C24.6 H12 Br3 N6 O9 |
Title of publication | 2,4,6-Tris(4-nitrophenoxy)-1,3,5-triazine: a hexagonal host framework stabilised by the NO2-trimer supramolecular synthon |
Authors of publication | Jetti, Ram K. R.; Thallapally, Praveen K.; Nangia, Ashwini; Lam, Chi-Keung; Mak, Thomas C. W. |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 9 |
Pages of publication | 952 |
a | 14.5236 ± 0.0011 Å |
b | 14.5236 ± 0.0011 Å |
c | 8.2878 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1514 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 147 |
Hermann-Mauguin space group symbol | P -3 |
Hall space group symbol | -P 3 |
Residual factor for all reflections | 0.1169 |
Residual factor for significantly intense reflections | 0.078 |
Weighted residual factors for significantly intense reflections | 0.2474 |
Weighted residual factors for all reflections included in the refinement | 0.2798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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