Information card for entry 7106809

Structure parameters

• Formula: C30 H30 Br Cu3 N8 O3 S3 W
• Calculated formula: C30 H30 Br Cu3 N8 O3 S3 W
• 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: 37.3848 ± 0.0011 Å
• b: 9.3228 ± 0.0013 Å
• c: 30.23 ± 0.002 Å
• α: 90°
• β: 128.195 ± 0.003°
• γ: 90°
• Cell volume: 8280.4 ± 1.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No