Information card for entry 7046531

Structure parameters

• Formula: C20 H15 Cl Cu N4
• Calculated formula: C20 H15 Cl Cu N4
• Title of publication: Static and dynamic coordination behaviours of copper(i) ions in hexa(2-pyridyl)benzene ligand systems.
• Authors of publication: Kwon, Hyunchul; Lee, Eunsung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 25
• Pages of publication: 8448 - 8455
• a: 10.933 ± 0.002 Å
• b: 13.69 ± 0.003 Å
• c: 11.946 ± 0.002 Å
• α: 90°
• β: 95.49 ± 0.03°
• γ: 90°
• Cell volume: 1779.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1041
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No