Information card for entry 7035066

Structure parameters

• Formula: C5 H5 Cl2 Cu N O
• Calculated formula: C5 H5 Cl2 Cu N O
• 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: 5.834 ± 0.0012 Å
• b: 13.603 ± 0.003 Å
• c: 9.863 ± 0.002 Å
• α: 90°
• β: 105.34 ± 0.03°
• γ: 90°
• Cell volume: 754.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No