Information card for entry 4112185

Structure parameters

• Common name: {[NEt4[cis-(DAniF)2Rh2]4[calix[4]arene(CO2)4]2(MeCN)2(H2O)2] [NEt4[cis-(DAniF)2Rh2]4[calix[4]arene(CO2)4]2(NH2COMe)(MeCN)3(H2O)]} (BF4)2,6(H2O)
• Formula: C444 H494 B2 F8 N40 O90 Rh16
• Calculated formula: C444 H407 B2 F8 N40 O90 Rh16
• 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: 20.282 ± 0.006 Å
• b: 24.285 ± 0.008 Å
• c: 26.555 ± 0.008 Å
• α: 75.101 ± 0.006°
• β: 67.97 ± 0.006°
• γ: 66.852 ± 0.006°
• Cell volume: 11056 ± 6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1651
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No