Information card for entry 7047338

Structure parameters

• Formula: C36 H29 Cl Cu N4 O5.25
• Calculated formula: C36 H24 Cl Cu N4 O5.25
• 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: 14.1241 ± 0.0011 Å
• b: 14.4166 ± 0.0011 Å
• c: 15.9927 ± 0.0013 Å
• α: 90°
• β: 103.416 ± 0.003°
• γ: 90°
• Cell volume: 3167.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No