Information card for entry 1550936

Structure parameters

• Formula: C42 H32 Br4 La N7 O5
• Calculated formula: C42 H32 Br4 La N7 O5
• SMILES: [La]12345(ON(=[O]1)=O)(Oc1c(Br)cc(Br)c6ccc[n]4c16)(Oc1c(Br)cc(Br)c4ccc[n]3c14)([n]1ccc(C)cc1c1[n]2ccc(c1)C)[n]1c(c2[n]5ccc(C)c2)cc(C)cc1
• 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: 26.0817 ± 0.0016 Å
• b: 20.662 ± 0.0012 Å
• c: 19.7728 ± 0.0011 Å
• α: 90°
• β: 125.502 ± 0.002°
• γ: 90°
• Cell volume: 8674.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No