Information card for entry 7103986

Structure parameters

• Formula: C68 H68 N4 O9 Ru
• Calculated formula: C68 H68 N4 O9 Ru
• Title of publication: Transformation of a C-methylcalix[4]resorcinarene based host-guest complex from a wave-like to a novel triangular brick-wall architecture
• Authors of publication: Philip Coppens; Bao-Qing Ma
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 15.0614 ± 0.0018 Å
• b: 14.6928 ± 0.0018 Å
• c: 26.775 ± 0.004 Å
• α: 90°
• β: 95.622 ± 0.005°
• γ: 90°
• Cell volume: 5896.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1629
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No