Information card for entry 4323002

Structure parameters

• Formula: C42 H48 Cl8 Hg4 N8
• Calculated formula: C42 H48 Cl8 Hg4 N8
• SMILES: [Hg]123(Cl)[N](Cc4[n]1c(ccc4)C)(Cc1[n]2c(ccc1)C)Cc1[n]3c(ccc1)C.[Hg]123(Cl)[N](Cc4[n]1c(ccc4)C)(Cc1[n]2c(ccc1)C)Cc1[n]3c(ccc1)C.[Hg]1(Cl)(Cl)[Cl][Hg]([Cl]1)(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: 10.606 ± 0.002 Å
• b: 15.104 ± 0.003 Å
• c: 17.785 ± 0.004 Å
• α: 67.46 ± 0.03°
• β: 83.52 ± 0.03°
• γ: 80.29 ± 0.03°
• Cell volume: 2590.1 ± 1.1 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: 0.1612
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for all reflections: 0.2144
• Weighted residual factors for significantly intense reflections: 0.143
• Goodness-of-fit parameter for all reflections: 1.18
• Goodness-of-fit parameter for significantly intense reflections: 1.316
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No