Information card for entry 4505585

Structure parameters

• Formula: C16 H26 Cl4 Hg2 S2
• Calculated formula: C16 H26 Cl4 Hg2 S2
• Title of publication: Counterion and Steric Effects in Self-Assembled HgX2‒Thioether Coordination Polymers
• Authors of publication: Carnes, Matthew E.; Lindquist, Nathan R.; Zakharov, Lev N.; Johnson, Darren W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1579
• a: 9.6603 ± 0.0014 Å
• b: 10.6821 ± 0.0015 Å
• c: 11.9029 ± 0.0017 Å
• α: 90°
• β: 110.087 ± 0.002°
• γ: 90°
• Cell volume: 1153.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No