Information card for entry 4323001

Structure parameters

• Chemical name: tris[(2-methylpyridyl)methyl]aminedichloromercury(II)
• Formula: C21 H24 Cl2 Hg N4
• Calculated formula: C21 H24 Cl2 Hg N4
• SMILES: [Hg]12([N](Cc3[n]1c(ccc3)C)(Cc1[n]2c(ccc1)C)Cc1nc(ccc1)C)(Cl)Cl
• Title of publication: Correlation of a Solution-State Conformational Change between Mercuric Chloride Complexes of Tris[(2-(6-methylpyridyl))methyl]amine with X-ray Crystallographic Structures
• Authors of publication: Deborah C. Bebout; James F. Bush; Kathleen K. Crahan; Margaret E. Kastner; Damon A. Parrish
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 4641 - 4646
• a: 8.663 ± 0.003 Å
• b: 11.539 ± 0.004 Å
• c: 13.739 ± 0.003 Å
• α: 80.81 ± 0.02°
• β: 75.84 ± 0.02°
• γ: 80.97 ± 0.03°
• Cell volume: 1304.6 ± 0.7 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: 0.0628
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections: 0.1639
• Weighted residual factors for significantly intense reflections: 0.1599
• Goodness-of-fit parameter for all reflections: 1.14
• Goodness-of-fit parameter for significantly intense reflections: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No