Information card for entry 4112184

Structure parameters

• Common name: {NEt4[cis-(DAniF)2Rh2]4[calix[4]arene(CO2)4]2(MeCN)2(H2O)2}(BF4),3.5H2O
• Formula: C220 H245 B F4 N19 O45.5 Rh8
• Calculated formula: C220 H198 B F4 N19 O45.5 Rh8
• Title of publication: A Calix[4]arene Carceplex with Four Rh24+ Fasteners
• Authors of publication: F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1518 - 1525
• a: 20.257 ± 0.009 Å
• b: 24.161 ± 0.01 Å
• c: 26.445 ± 0.011 Å
• α: 75.223 ± 0.007°
• β: 67.977 ± 0.007°
• γ: 66.997 ± 0.007°
• Cell volume: 10955 ± 8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.163
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No