Information card for entry 7030368

Structure parameters

• Formula: C24 H36 Cu N2 O4
• Calculated formula: C24 H36 Cu N2 O4
• SMILES: [Cu]12(Oc3c(=[O]2)ccn(c3C)CCCCCC)Oc2c(=[O]1)ccn(c2C)CCCCCC
• Title of publication: Distinctive EPR signals provide an understanding of the affinity of bis-(3-hydroxy-4-pyridinonato) copper(ii) complexes for hydrophobic environments.
• Authors of publication: Rangel, Maria; Leite, Andreia; Silva, André M N; Moniz, Tânia; Nunes, Ana; Amorim, M João; Queirós, Carla; Cunha-Silva, Luís; Gameiro, Paula; Burgess, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 9722 - 9731
• a: 27.206 ± 0.005 Å
• b: 27.206 ± 0.005 Å
• c: 16.478 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10562 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No