Information card for entry 7103208

Structure parameters

• Formula: C53 H28 Cl4 N4 O20 Re4
• Calculated formula: C53 H28 Cl4 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: 11.02 ± 0.0002 Å
• b: 18.4422 ± 0.0005 Å
• c: 14.9444 ± 0.0004 Å
• α: 90°
• β: 104.018 ± 0.0011°
• γ: 90°
• Cell volume: 2946.75 ± 0.12 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No