Information card for entry 4505590

Structure parameters

• Formula: C26 H38 Cl4 Hg2 O4 S2
• Calculated formula: C22 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: 23.622 ± 0.003 Å
• b: 5.8468 ± 0.0008 Å
• c: 11.4433 ± 0.0016 Å
• α: 90°
• β: 91.535 ± 0.002°
• γ: 90°
• Cell volume: 1579.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No