Information card for entry 7038331

Structure parameters

• Formula: C36 H29 Cu N3 O7
• Calculated formula: C36 H29 Cu N3 O7
• SMILES: c1cccc2c3cc(cc4c5cccc[n]5[Cu]5(OC(=[O]5)c5cc(ccc5)O)([n]12)([n]34)OC(=O)c1cccc(c1)O)c1ccccc1.CO
• Title of publication: Synthesis, characterization, thermal properties and antiproliferative potential of copper(ii) 4'-phenyl-terpyridine compounds.
• Authors of publication: Ma, Zhen; Zhang, Bian; Guedes da Silva, M Fátima C; Silva, Joana; Mendo, Ana Soraia; Baptista, Pedro Viana; Fernandes, Alexandra R.; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5339 - 5355
• a: 9.0848 ± 0.0003 Å
• b: 12.0013 ± 0.0004 Å
• c: 15.5065 ± 0.0005 Å
• α: 94.097 ± 0.002°
• β: 104.306 ± 0.003°
• γ: 107.188 ± 0.002°
• Cell volume: 1545.9 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No