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Information card for entry 7218667
Preview
Coordinates | 7218667.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1,3,5-Trifluoro-2,4,6-tri-iodobenzene 4,4'-bipyridine |
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Formula | C16 H8 F3 I3 N2 |
Calculated formula | C16 H8 F3 I3 N2 |
SMILES | Ic1c(F)c(I)c(F)c(I)c1F.n1ccc(c2ccncc2)cc1 |
Title of publication | Directed synthesis of a halogen-bonded open porphyrin network |
Authors of publication | Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 45 |
Pages of publication | 10380 |
a | 4.114 ± 0.0008 Å |
b | 9.071 ± 0.0009 Å |
c | 24.104 ± 0.005 Å |
α | 90° |
β | 91.621 ± 0.019° |
γ | 90° |
Cell volume | 899.2 ± 0.3 Å3 |
Cell temperature | 250 ± 2 K |
Ambient diffraction temperature | 250 ± 2 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.0725 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1403 |
Weighted residual factors for all reflections included in the refinement | 0.1488 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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