Information card for entry 7706998

Structure parameters

• Formula: C21 H16 Cl2 Er N3 O3
• Calculated formula: C21 H16 Cl2 Er N3 O3
• SMILES: [Er]12(Cl)(Cl)(Oc3cccc4cccn(=[O]1)c34)([OH2])[n]1cccc3ccc4ccc[n]2c4c13
• Title of publication: High anticancer activity and apoptosis- and autophagy-inducing properties of novel lanthanide(III) complexes bearing 8-hydroxyquinoline-<i>N</i>-oxide and 1,10-phenanthroline.
• Authors of publication: Yang, Yan; Zhou, Zhen; Wei, Zu-Zhuang; Qin, Qi-Pin; Yang, Lin; Liang, Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 17
• Pages of publication: 5828 - 5834
• a: 9.8863 ± 0.0006 Å
• b: 11.0534 ± 0.0014 Å
• c: 18.1992 ± 0.0012 Å
• α: 90°
• β: 93.259 ± 0.006°
• γ: 90°
• Cell volume: 1985.5 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No