Information card for entry 4321116

Structure parameters

• Formula: C46 H42 Hg2 N Na O6 S6
• Calculated formula: C46 H42 Hg2 N Na O6 S6
• Title of publication: Synthesis, Structure, and multi-NMR studies of (Me~4~N)[A{M(SC{O}Ph)~3~] (A = Na, M = Hg; A = K, M = Cd or Hg)
• Authors of publication: Theivanayagam C. Deivaraj; Philip A.W. Dean; Jagadese Jayapurandara Vittal
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3071 - 3074
• a: 10.84 ± 0.002 Å
• b: 10.946 ± 0.004 Å
• c: 12.006 ± 0.003 Å
• α: 72.18 ± 0.02°
• β: 86.75 ± 0.02°
• γ: 67.43 ± 0.02°
• Cell volume: 1249.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.0797
• Goodness-of-fit parameter for all reflections: 0.994
• Goodness-of-fit parameter for significantly intense reflections: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No