Information card for entry 1550940

Structure parameters

• Formula: C31 H24 Br4 N5 O6 Sm
• Calculated formula: C31 H24 Br4 N5 O6 Sm
• SMILES: [Sm]1234(Oc5c(Br)cc(Br)c6c5[n]2ccc6)(Oc2c5[n]3cccc5c(Br)cc2Br)(ON(=[O]1)=O)([OH]C)[n]1ccc(cc1c1[n]4ccc(c1)C)C
• Title of publication: Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.
• Authors of publication: Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1005 - 1015
• a: 9.7421 ± 0.0004 Å
• b: 16.9016 ± 0.0006 Å
• c: 25.0742 ± 0.0009 Å
• α: 72.958 ± 0.001°
• β: 85.719 ± 0.001°
• γ: 74.795 ± 0.001°
• Cell volume: 3809.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No