Information card for entry 7101575

Structure parameters

• Formula: C54 H71 B2 Cd3 F14 N42 O15.5 Si
• Calculated formula: C54 H42 B1.98 Cd3 F13.92 N42 O15.48 Si
• Title of publication: A novel 3D porous metal–organic framework based on trinuclear cadmium clusters as a promising luminescent material exhibiting tunable emissions between UV and visible wavelengths
• Authors of publication: Huang, Yong-Quan; Ding, Bin; Song, Hai-Bin; Zhao, Bin; Ren, Peng; Cheng, Peng; Wang, Hong-Gen; Liao, Dai-Zheng; Yan, Shi-Ping
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 47
• Pages of publication: 4906 - 4908
• a: 20.1077 ± 0.0011 Å
• b: 20.1077 ± 0.0011 Å
• c: 20.234 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7085.1 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No