Information card for entry 4500755

Structure parameters

• Formula: C20 H16 Cl Cu3 Mo N4 O S3
• Calculated formula: C20 H16 Cl Cu3 Mo N4 O S3
• Title of publication: External Template-Assisted Self-Assembly:Design and Synthesis of 4,4′-bipy-Based Mo(W)/Cu/S Heterothiometallic Polymeric Clusters Directed by 1,1′-Bis(pyridinium)methylene Cation
• Authors of publication: Han, Yi; Zhang, Zhenhua; Liu, Yanyan; Niu, Yunyin; Ding, Degang; Wu, Benlai; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 3448
• a: 25.5852 ± 0.0015 Å
• b: 29.62 ± 0.0018 Å
• c: 58.413 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 44267 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1572
• 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