Information card for entry 8103364

Structure parameters

• Formula: C42 H72.56 Hg N2 O6.28 S4
• Calculated formula: C42 H72.568 Hg N2 O6.284 S4
• Title of publication: Crystal structure of bis(tetrabutylammonium) bis(1,2,3-trioxocyclopent-4-ene-4,5-dithiolato-S,S')mercury(II) — water (1:0.28), [N(C4H9)4]2[Hg(C5O3S2)2] · 0.28H2O
• Authors of publication: Xi-Man Zhang; Ping Li; Hai Wang; Hong-Yu Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 230
• a: 9.787 ± 0.005 Å
• b: 14.999 ± 0.005 Å
• c: 17.342 ± 0.005 Å
• α: 74.973 ± 0.005°
• β: 87.124 ± 0.005°
• γ: 87.609 ± 0.005°
• Cell volume: 2454.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No