Information card for entry 4501901

Structure parameters

• Formula: C29 H26 Hg2 N4 O2 S6
• Calculated formula: C29 H26 Hg2 N4 O2 S6
• Title of publication: Networking of Tribenzo-O2S2-Macrocycles with Mercury Thiocyanate: Effect of Macrocyclic Isomers
• Authors of publication: Kim, Hyun Jee; Lindoy, Leonard F.; Lee, Shim Sung
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 3850
• a: 11.207 ± 0.005 Å
• b: 11.897 ± 0.005 Å
• c: 14.134 ± 0.006 Å
• α: 103.71 ± 0.02°
• β: 89.77 ± 0.02°
• γ: 114.574 ± 0.018°
• Cell volume: 1655.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No