Information card for entry 7103209

Structure parameters

• Formula: C64 H36 N4 O20 Re4
• Calculated formula: C64 H30 N4 O20 Re4
• Title of publication: Rhenium-based molecular rectangular boxes with large inner cavity and high shape selectivity towards benzene molecule.
• Authors of publication: Liao, Rong-Tang; Yang, Woei-Chyuan; Thanasekaran, P; Tsai, Chen-Chuan; Sathiyendiran, M; Liu, Yen-Hsiang; Rajendran, T; Lin, Hsiu-Mei; Tseng, Tien-Wen; Lu, Kuang-Lieh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3175 - 3177
• a: 12.277 ± 0.003 Å
• b: 19.785 ± 0.004 Å
• c: 26.044 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6326 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No