Information card for entry 2011772

Structure parameters

• Chemical name: Tetrathioureamercury(II) tetrathiocyanatomanganate(II)
• Formula: C8 H16 Hg Mn N12 S8
• Calculated formula: C8 H16 Hg Mn N12 S8
• SMILES: C(N)(N)=[S][Hg]([S]=C(N)N)([S]=C(N)N)[S]=C(N)N.[Mn](N=C=S)(N=C=S)(N=C=S)N=C=S
• Title of publication: Tetrathioureamercury(II) tetrathiocyanatomanganate(II)
• Authors of publication: Yu, Wen Tao; Wang, Xin Qiang; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 145 - 146
• a: 17.4297 ± 0.0008 Å
• b: 17.4297 ± 0.0008 Å
• c: 4.1754 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1268.46 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes