Information card for entry 4331987

Structure parameters

• Formula: C2 H7 Hg2 I4 N O S
• Calculated formula: C2 H7 Hg2 I4 N O S
• 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: 29.602 ± 0.006 Å
• b: 7.2524 ± 0.0015 Å
• c: 13.346 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2865.2 ± 1.1 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No