Information card for entry 1550939

Structure parameters

• Formula: C32 H24 Br4 Ho N5 O7
• Calculated formula: C32 H24 Br4 Ho N5 O7
• SMILES: [Ho]123(ON(=O)=[O]1)(Oc1c(Br)cc(Br)c4ccc(nc14)C)(Oc1c(Br)cc(Br)c4ccc([n]3c14)C)[n]1c(c3[n]2ccc(OC)c3)cc(OC)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: 13.5152 ± 0.0007 Å
• b: 17.1668 ± 0.0008 Å
• c: 16.0298 ± 0.0008 Å
• α: 90°
• β: 105.757 ± 0.002°
• γ: 90°
• Cell volume: 3579.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1234
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2148
• Weighted residual factors for all reflections included in the refinement: 0.2324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No