Information card for entry 7703736

Structure parameters

• Formula: C72 H66 Dy5 N12 O25
• Calculated formula: C72 H67 Dy5 N12 O25
• SMILES: [Dy]1234567([O]8[Dy]9%10%11%12([O]%13[Dy]%14%15%16%178([O]([Dy]8%18%19%20%21([O]1C(=N[N]%20=Cc1ccccc1O%19)c1[n]6c6c(cc1)ccc1c6[n]7c(C6[O]2[Dy]27(Oc%19ccccc%19C=[N]7N=6)([O]5=C([O]3%18)C)(OC(=[O]2)C)([O]=C(O%15)C)OC(=[O]%10)C)cc1)[O]%14C(=N[N]%21=Cc1ccccc1O8)c1[n]%17c2c3[n]%16c(C%13=N[N]%12=Cc5c(O%11)cccc5)ccc3ccc2cc1)C(=[O]9)C)[OH]C)([O]4C(=O)C)[OH]C)[OH]C.OC
• Title of publication: Mitochondria-localizing dicarbohydrazide Ln complexes and their mechanism of in vitro anticancer activity.
• Authors of publication: Meng, Ting; Liu, Tong; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 4404 - 4415
• a: 15.3856 ± 0.0002 Å
• b: 16.2878 ± 0.0002 Å
• c: 19.7277 ± 0.0002 Å
• α: 78.402 ± 0.001°
• β: 74.551 ± 0.001°
• γ: 78.443 ± 0.001°
• Cell volume: 4611.04 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No