Information card for entry 4509122

Structure parameters

• Formula: C92 H94 Cu6 Mo2 N18 O2 S8
• Calculated formula: C92 H94 Cu6 Mo2 N18 O2 S8
• Title of publication: Formation of Four Different [MoOS3Cu3]-Based Coordination Polymers from the Same Components via Four Synthetic Routes
• Authors of publication: Chen, Jin-Xiang; Tang, Xiao-Yan; Chen, Yang; Zhang, Wen-Hua; Li, Ling-Ling; Yuan, Rong-Xin; Zhang, Yong; Lang, Jian-Ping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1461
• a: 15.7872 ± 0.0002 Å
• b: 17.1818 ± 0.0003 Å
• c: 19.9734 ± 0.0004 Å
• α: 64.672 ± 0.008°
• β: 85.659 ± 0.001°
• γ: 89.496 ± 0.003°
• Cell volume: 4881.3 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No