Information card for entry 7047337

Structure parameters

• Formula: C54 H36 Cl Cu N6 O4
• Calculated formula: C54 H36 Cl Cu N6 O4
• Title of publication: Effects of non-covalent interactions on the electronic and electrochemical properties of Cu(i) biquinoline complexes.
• Authors of publication: Martínez, Natalia P; Isaacs, Mauricio; Oliver, Allen G.; Ferraudi, G.; Lappin, A. Graham; Guerrero, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 37
• Pages of publication: 13171 - 13179
• a: 13.7519 ± 0.0007 Å
• b: 10.7132 ± 0.0006 Å
• c: 14.1096 ± 0.0007 Å
• α: 90°
• β: 97.732 ± 0.002°
• γ: 90°
• Cell volume: 2059.82 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No