Information card for entry 2210188

Structure parameters

• Formula: C30 H56 Hg N2 S10
• Calculated formula: C30 H56 Hg N2 S10
• SMILES: C1(=S)SC2S[Hg]3(SC=2S1)SC1=C(S3)SC(=S)S1.CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC
• Title of publication: Bis(tetra-<i>n</i>-propylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)mercurate(II)
• Authors of publication: Guo, Wen Feng; Xu, Dong; Yu, Wen Tao; Wang, Xin Qiang; Zhang, Guang Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2345 - m2347
• a: 8.2566 ± 0.0003 Å
• b: 12.5783 ± 0.0004 Å
• c: 21.3073 ± 0.0006 Å
• α: 83.034 ± 0.001°
• β: 82.918 ± 0.001°
• γ: 84.628 ± 0.001°
• Cell volume: 2172.79 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No