Information card for entry 7106808

Structure parameters

• Formula: C45 H35 Cu3 I Mo N10 O S3
• Calculated formula: C45 H35 Cu3 I Mo N10 O S3
• Title of publication: The rational synthesis of (10,3)-type MOFs based on tetranuclear [W(Mo)OS3Cu3]+ secondary building units
• Authors of publication: Yao, Xiao-Qiang; Pan, Zhao-Rui; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 10049 - 10051
• a: 12.004 ± 0.005 Å
• b: 12.215 ± 0.005 Å
• c: 16.157 ± 0.007 Å
• α: 74.739 ± 0.006°
• β: 76.36 ± 0.005°
• γ: 80.407 ± 0.005°
• Cell volume: 2207.2 ± 1.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No