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Information card for entry 4324029
Preview
Coordinates | 4324029.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | bis-tris[(2-pyridyl)methyl]aminemercury(II) perchlorate |
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Formula | C36 H36 Cl2 Hg N8 O8 |
Calculated formula | C36 H36 Cl2 Hg N8 O8 |
SMILES | [N]123[Hg]456([n]7ccccc7C1)([n]1ccccc1C2)([N](Cc1[n]4cccc1)(Cc1[n]5cccc1)Cc1[n]6cccc1)[n]1ccccc1C3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Preparation of Mercury(II) Complexes of Tris[(2-pyridyl)methyl]amine and Characterization by X-ray Crystallography and NMR Spectroscopy |
Authors of publication | Deborah C. Bebout; David E. Ehmann; Jonathan C. Trinidad; Kathleen K. Crahan; Margaret E. Kastner; Damon A. Parrish |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 4257 - 4264 |
a | 9.735 ± 0.01 Å |
b | 10.963 ± 0.002 Å |
c | 18.553 ± 0.034 Å |
α | 90° |
β | 103.81 ± 0.12° |
γ | 90° |
Cell volume | 1923 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0471 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for all reflections | 0.0823 |
Weighted residual factors for significantly intense reflections | 0.07 |
Goodness-of-fit parameter for all reflections | 0.901 |
Goodness-of-fit parameter for significantly intense reflections | 1.004 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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