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Information card for entry 4505760
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Coordinates | 4505760.cif |
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Original paper (by DOI) | HTML |
Chemical name | 4,4,4',4'-tetramethyl-p-phenylenediamine. 1,8-dibromoperfluorooctane |
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Formula | C18 H16 Br2 F16 N2 |
Calculated formula | C18 H16 Br2 F16 N2 |
Title of publication | Perfluorocarbon−Hydrocarbon Self-Assembly: First Crystalline Halogen-Bonded Complex Involving Bromoperfluoroalkanes |
Authors of publication | Liantonio, Rosalba; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea |
Journal of publication | Crystal Growth & Design |
Year of publication | 2003 |
Journal volume | 3 |
Journal issue | 5 |
Pages of publication | 799 |
a | 5.5807 ± 0.001 Å |
b | 6.1359 ± 0.001 Å |
c | 18.425 ± 0.003 Å |
α | 92.881 ± 0.003° |
β | 92.386 ± 0.003° |
γ | 90.412 ± 0.003° |
Cell volume | 629.55 ± 0.18 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0566 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.0933 |
Weighted residual factors for all reflections included in the refinement | 0.0991 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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