Information card for entry 4331986

Structure parameters

• Formula: C4 H12 Hg2 I2 N2 S2
• Calculated formula: C4 H12 Hg2 I2 N2 S2
• Title of publication: Solution and Solid-State Study of Heteroleptic Hg(II)-Thiolates: Crystal Structures of [Hg4I4(SCH2CH2NH2)4] and [Hg4I8(SCH2CH2NH3)2]n·nH2O
• Authors of publication: Bharara, Mohan S.; Parkin, Sean; Atwood, David A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2112 - 2118
• a: 9.2107 ± 0.0002 Å
• b: 8.1173 ± 0.0002 Å
• c: 18.1332 ± 0.0004 Å
• α: 90°
• β: 100.502 ± 0.001°
• γ: 90°
• Cell volume: 1333.04 ± 0.05 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No