Information card for entry 4512064

Structure parameters

• Formula: C52 H52 Hg3 K2 N8 O8 S10
• Calculated formula: C52 H52 Hg3 K2 N8 O8 S10
• Title of publication: Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures
• Authors of publication: Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 6012
• a: 15.747 ± 0.0003 Å
• b: 30.7069 ± 0.0006 Å
• c: 13.051 ± 0.0002 Å
• α: 90°
• β: 99.258 ± 0.001°
• γ: 90°
• Cell volume: 6228.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No