Information card for entry 7035069

Structure parameters

• Formula: C92 H112 Cu N2 O28
• Calculated formula: C92 H112 Cu N2 O28
• Title of publication: Methylresorcinarene: a reaction vessel to control the coordination geometry of copper(ii) in pyridine N-oxide copper(ii) complexes.
• Authors of publication: Beyeh, Ngong Kodiah; Puttreddy, Rakesh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9881 - 9886
• a: 12.1909 ± 0.0007 Å
• b: 12.7422 ± 0.0006 Å
• c: 15.5226 ± 0.0009 Å
• α: 81.845 ± 0.004°
• β: 73.601 ± 0.005°
• γ: 69.069 ± 0.005°
• Cell volume: 2158.3 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No