Information card for entry 4500971

Structure parameters

• Formula: C66 H64 Cu12 N12 O28 S6
• Calculated formula: C66 H54 Cu12 N12 O28 S6
• Title of publication: Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates
• Authors of publication: Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5241
• a: 14.868 ± 0.006 Å
• b: 16.93 ± 0.007 Å
• c: 22.725 ± 0.01 Å
• α: 90°
• β: 99.218 ± 0.005°
• γ: 90°
• Cell volume: 5646 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1577
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No