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Information card for entry 2219667
Preview
Coordinates | 2219667.cif |
---|---|
Structure factors | 2219667.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(μ-<i>N</i>,<i>N</i>'-di-3-pyridylpyridine-2,6-dicarboxamide- κ^2^<i>N</i>:<i>N</i>')bis[dibromidomercury(II)] <i>N</i>,<i>N</i>-dimethylformamide disolvate |
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Formula | C40 H40 Br4 Hg2 N12 O6 |
Calculated formula | C40 H40 Br4 Hg2 N12 O6 |
SMILES | c1[n]2cc(NC(=O)c3nc(ccc3)C(=O)Nc3ccc[n](c3)[Hg](Br)([n]3cccc(c3)NC(=O)c3cccc(n3)C(=O)Nc3ccc[n](c3)[Hg]2(Br)Br)Br)cc1.N(C)(C=O)C.N(C)(C)C=O |
Title of publication | Bis(μ-<i>N</i>,<i>N</i>'-di-3-pyridyl-2,6-pyridine-2,6-dicarboxamide-κ^2^<i>N</i>:<i>N</i>')bis[dibromidomercury(II)] <i>N</i>,<i>N</i>-dimethylformamide disolvate |
Authors of publication | Huang, Li-hua; Wu, Jie |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 10 |
Pages of publication | m1263 |
a | 7.7609 ± 0.0016 Å |
b | 12.267 ± 0.003 Å |
c | 13.296 ± 0.003 Å |
α | 92.27 ± 0.03° |
β | 105.82 ± 0.03° |
γ | 104.07 ± 0.03° |
Cell volume | 1173.7 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0491 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0614 |
Weighted residual factors for all reflections included in the refinement | 0.0665 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2219667.html
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