Information card for entry 7046534

Structure parameters

• Formula: C48 H45 Cl Cu N9
• Calculated formula: C48 H45 Cl Cu N9
• 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: 23.704 ± 0.005 Å
• b: 14.101 ± 0.003 Å
• c: 27.437 ± 0.006 Å
• α: 90°
• β: 108.2 ± 0.03°
• γ: 90°
• Cell volume: 8712 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0924
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2237
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No