Information card for entry 7008839

Structure parameters

• Formula: C6 H22 Cl3 Hg3 N3 O2 S3
• Calculated formula: C6 H18 Cl3 Hg3 N3 O2 S3
• Title of publication: Mercurophilic interaction in novel polynuclear Hg(II)-2-aminoethanethiolates.
• Authors of publication: Bharara, Mohan S.; Bui, Thanhhoa H.; Parkin, Sean; Atwood, David A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 24
• Pages of publication: 3874 - 3880
• a: 21.1255 ± 0.0001 Å
• b: 7.9607 ± 0.0002 Å
• c: 22.6473 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3808.68 ± 0.11 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No