Information card for entry 4509125

Structure parameters

• Formula: C89 H85 Cu6 Mo2 N18 O2 S8
• Calculated formula: C89 H85 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: 17.1042 ± 0.0016 Å
• b: 18.3052 ± 0.001 Å
• c: 20.236 ± 0.002 Å
• α: 75.305 ± 0.011°
• β: 86.882 ± 0.012°
• γ: 67.409 ± 0.008°
• Cell volume: 5651.7 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1102
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No