Information card for entry 7038332

Structure parameters

• Formula: C35 H25 Cu N3 O6
• Calculated formula: C35 H25 Cu N3 O6
• SMILES: c1cccc2c3cc(cc4c5cccc[n]5[Cu](OC(=O)c5c(cccc5)O)([n]34)([n]12)OC(=O)c1ccccc1O)c1ccccc1
• 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: 9.5127 ± 0.0005 Å
• b: 10.7981 ± 0.0006 Å
• c: 15.2472 ± 0.0009 Å
• α: 97.794 ± 0.003°
• β: 90.711 ± 0.004°
• γ: 113.681 ± 0.003°
• Cell volume: 1417.18 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No