Information card for entry 4505588

Structure parameters

• Formula: C16 H26 S2
• Calculated formula: C16 H26 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: 6.112 ± 0.0014 Å
• b: 11.909 ± 0.003 Å
• c: 12.163 ± 0.003 Å
• α: 76.858 ± 0.004°
• β: 80.429 ± 0.004°
• γ: 77.767 ± 0.004°
• Cell volume: 836 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.13
• 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: Yes
• Has Fobs: No