Information card for entry 7038328

Structure parameters

• Formula: C35 H33 Cu N3 O8 S2
• Calculated formula: C35 H33 Cu N3 O8 S2
• SMILES: c1cccc2c3cc(cc4c5cccc[n]5[Cu]([n]12)([n]34)([OH2])([OH2])OS(=O)(=O)c1ccc(cc1)C)c1ccccc1.c1(ccc(cc1)C)S(=O)(=O)[O-]
• 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: 8.285 ± 0.0004 Å
• b: 31.1469 ± 0.0017 Å
• c: 13.8987 ± 0.0007 Å
• α: 90°
• β: 112.888 ± 0.003°
• γ: 90°
• Cell volume: 3304.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No