Information card for entry 7235576

Structure parameters

• Formula: C32.5 H32.5 Hg1.5 N3.5 S6
• Calculated formula: C32.5 H30 Hg1.5 N3.5 S6
• Title of publication: Effect of co-crystallization of ethanol, pyridine and 2,2′-bipyridine on molecular aggregation in bis(1,2,3,4-tetrahydroquinolinedithiocarbamato-S,S′)mercury(ii) and synthesis of HgS nanoparticles
• Authors of publication: Srinivasan, Narayanaswamy; Thirumaran, Subbiah; Ciattini, Samuele
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 44
• Pages of publication: 22971
• a: 8.899 ± 0.001 Å
• b: 10.782 ± 0.001 Å
• c: 18.88 ± 0.001 Å
• α: 74.64 ± 0.01°
• β: 77.36 ± 0.01°
• γ: 87.72 ± 0.01°
• Cell volume: 1704.2 ± 0.3 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: 0.0935
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No