Information card for entry 4508676

Structure parameters

• Formula: C15 H14 N6 S3 Zn
• Calculated formula: C15 H14 N6 S3 Zn
• Title of publication: Anion-Directed Assembly of Macrocycle and Helix
• Authors of publication: Zhang, Xuanjun; Zhou, Xiao-Ping; Li, Dan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1440
• a: 14.5933 ± 0.0013 Å
• b: 5.7422 ± 0.0005 Å
• c: 23.212 ± 0.002 Å
• α: 90°
• β: 106.128 ± 0.002°
• γ: 90°
• Cell volume: 1868.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1161
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No