Information card for entry 4321115

Structure parameters

• Formula: C46 H42 Cd2 K N O6 S6
• Calculated formula: C46 H42 Cd2 K N 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: 10.667 ± 0.0002 Å
• b: 11.1522 ± 0.0002 Å
• c: 11.9294 ± 0.0002 Å
• α: 71.782 ± 0.001°
• β: 85.208 ± 0.001°
• γ: 69.418 ± 0.001°
• Cell volume: 1261.4 ± 0.04 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: 0.0875
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections: 0.1464
• Weighted residual factors for significantly intense reflections: 0.1304
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No