Information card for entry 1520102

Structure parameters

• Chemical name: CuNPy3Cl
• Formula: C33 H24 Cl Cu N4
• Calculated formula: C33 H24 Cl Cu N4
• Title of publication: Facile redox state manipulation in Cu(i) frameworks by utilisation of the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand.
• Authors of publication: Hua, Carol; Turner, Peter; D'Alessandro, Deanna M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15297 - 15303
• a: 10.0513 ± 0.0001 Å
• b: 28.1929 ± 0.0002 Å
• c: 12.2189 ± 0.0001 Å
• α: 90°
• β: 112.243 ± 0.001°
• γ: 90°
• Cell volume: 3204.88 ± 0.05 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No