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Information card for entry 2230765
Preview
Coordinates | 2230765.cif |
---|---|
Structure factors | 2230765.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(μ-<i>N</i>,<i>N</i>',<i>N</i>''-tri-3-pyridylpyridine-1,3,5- tricarboxamide-κ^2^<i>N</i>:<i>N</i>')bis[dichloridomercury(II)] methanol disolvate |
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Formula | C50 H44 Cl4 Hg2 N12 O8 |
Calculated formula | C50 H44 Cl4 Hg2 N12 O8 |
SMILES | c1ccc2c[n]1[Hg](Cl)([n]1cccc(NC(=O)c3cc(cc(C(=O)Nc4ccc[n](c4)[Hg]([n]4cccc(NC(=O)c5cc(cc(C(=O)N2)c5)C(=O)Nc2cnccc2)c4)(Cl)Cl)c3)C(=O)Nc2cnccc2)c1)Cl.OC.OC |
Title of publication | Bis(μ-<i>N</i>,<i>N</i>',<i>N</i>''-tri-3-pyridylpyridine-1,3,5-tricarboxamide-κ^2^<i>N</i>:<i>N</i>')bis[dichloridomercury(II)] methanol disolvate |
Authors of publication | Wang, Pei; Wang, Yufei; Huang, Chao; Chang, Lixiang; Wu, Jie |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m859 |
a | 8.6772 ± 0.0017 Å |
b | 12.243 ± 0.002 Å |
c | 13.53 ± 0.003 Å |
α | 66.81 ± 0.03° |
β | 84.66 ± 0.03° |
γ | 86.4 ± 0.03° |
Cell volume | 1315 ± 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 | 0.0541 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.069 |
Weighted residual factors for all reflections included in the refinement | 0.0735 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
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/2230765.html
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