Information card for entry 4324029

Structure parameters

• Chemical name: bis-tris[(2-pyridyl)methyl]aminemercury(II) perchlorate
• 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 ų
• 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