Information card for entry 8101736

Structure parameters

• Chemical name: bis(tetra-n-butylammonium)bis(1,3-dithiole-2-thione-4,5-dithiolato)mercury(II)
• Formula: C38 H72 Hg N2 S10
• Calculated formula: C38 H72 Hg N2 S10
• Title of publication: Crystal structure of bis(tetra-n-butylammonium) bis(1,3-dithiole-2- thione-4,5-dithiolato)mercurate(II), [(C~4~H~9~)~4~N]~2~[Hg(C~3~S~5~)~2~]
• Authors of publication: Wang, X.-Q.; Yu, W.-T.; Xu, D.; Li, T.-B.; Wang, Y.-L.; Zhang, G.-H.; Xue, G.; Yang, H.-L.; Ren, Q.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 177 - 179
• a: 10.151 ± 0.0014 Å
• b: 28.659 ± 0.004 Å
• c: 9.286 ± 0.002 Å
• α: 90°
• β: 110.175 ± 0.011°
• γ: 90°
• Cell volume: 2535.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.195
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No