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Information card for entry 4083604
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Coordinates | 4083604.cif |
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Original paper (by DOI) | HTML |
Common name | 1,3,5-tribromo-2-nitro-benzene |
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Chemical name | 2,4,6-tribromo-N,N-dioxoanilinium |
Formula | C6 H2 Br3 N O2 |
Calculated formula | C6 H2 Br3 N O2 |
SMILES | c1c(Br)cc(c(c1Br)N(=O)=O)Br |
Title of publication | Polyfluorinated Functionalizedm-Terphenyls. New Substituents and Ligands in Organometallic Synthesis |
Authors of publication | Olaru, Marian; Beckmann, Jens; Raţ, Ciprian I. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 12 |
Pages of publication | 3012 |
a | 8.6125 ± 0.0017 Å |
b | 12.458 ± 0.003 Å |
c | 9.2153 ± 0.0018 Å |
α | 90° |
β | 112.05 ± 0.03° |
γ | 90° |
Cell volume | 916.4 ± 0.4 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1246 |
Residual factor for significantly intense reflections | 0.0774 |
Weighted residual factors for significantly intense reflections | 0.1978 |
Weighted residual factors for all reflections included in the refinement | 0.2106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4083604.html
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