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Information card for entry 7704443
Preview
Coordinates | 7704443.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H12 Cl4 N2 O2 |
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Calculated formula | C20 H12 Cl4 N2 O2 |
SMILES | c1c(cccc1C(=O)Nc1c(cc(cc1)Cl)Cl)C(=O)Nc1c(cc(cc1)Cl)Cl |
Title of publication | Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties. |
Authors of publication | Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 27 |
Pages of publication | 9231 - 9238 |
a | 19.0305 ± 0.0013 Å |
b | 4.7498 ± 0.0003 Å |
c | 21.7414 ± 0.0016 Å |
α | 90° |
β | 104.946 ± 0.007° |
γ | 90° |
Cell volume | 1898.7 ± 0.2 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0945 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.0827 |
Weighted residual factors for all reflections included in the refinement | 0.0972 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7704443.html
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