Information card for entry 4324028

Structure parameters

• Chemical name: tris[(2-pyridyl)methyl]aminechloromercury(II) tetrachloromercurate(II)
• Formula: C36 H36 Cl6 Hg3 N8
• Calculated formula: C36 H36 Cl6 Hg3 N8
• SMILES: [Hg]123([N](Cc4[n]1cccc4)(Cc1[n]2cccc1)Cc1[n]3cccc1)Cl.[Hg]123([N](Cc4[n]1cccc4)(Cc1[n]2cccc1)Cc1[n]3cccc1)Cl.[Hg](Cl)(Cl)([Cl-])[Cl-]
• 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: 11.887 ± 0.002 Å
• b: 13.26 ± 0.002 Å
• c: 15.278 ± 0.004 Å
• α: 112.27 ± 0.02°
• β: 109.39 ± 0.02°
• γ: 90.67 ± 0.01°
• Cell volume: 2075.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections: 0.1411
• Weighted residual factors for significantly intense reflections: 0.1085
• Goodness-of-fit parameter for all reflections: 0.919
• Goodness-of-fit parameter for significantly intense reflections: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No