Information card for entry 4507071

Structure parameters

• Formula: C60 H44 N4 O20 S2 Zn4
• Calculated formula: C60 H44 N4 O20 S2 Zn4
• Title of publication: Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand
• Authors of publication: Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5783
• a: 10.1761 ± 0.0005 Å
• b: 14.5967 ± 0.0007 Å
• c: 22.8332 ± 0.0012 Å
• α: 72.626 ± 0.001°
• β: 82.585 ± 0.001°
• γ: 80.492 ± 0.001°
• Cell volume: 3180.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No