Information card for entry 4509123

Structure parameters

• Formula: C78 H110 Cu6 Mo2 N14 O2 S10
• Calculated formula: C78 H110 Cu6 Mo2 N14 O2 S10
• 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: 9.901 ± 0.002 Å
• b: 25.752 ± 0.005 Å
• c: 18.883 ± 0.004 Å
• α: 90°
• β: 97.9 ± 0.03°
• γ: 90°
• Cell volume: 4768.9 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No