Information card for entry 7703737

Structure parameters

• Formula: C74 H65 N16 O25 Tb5
• Calculated formula: C74 H65 N16 O25 Tb5
• SMILES: [Tb]1234567([O]8[Tb]9%10%11%12%13%14[O]%15[Tb]%16%17%18%19%20([O]4[Tb]4%21(O1)([O]%16C(=N[N]%21=Cc1c(O4)cccc1)c1[n]%20c4c%16[n]%19c(C%15=N[N]%14=Cc%14c(O%10)cccc%14)ccc%16c%10nccnc%10c4cc1)([O]=C([O]%11%18)C)OC(=[O][Tb]14%10([O]2C(=N[N]%10=Cc2c(O1)cccc2)c1[n]7c2c(cc1)c1nccnc1c1c2[n]6c(C([O]59)=N[N]%13=Cc2c(O%12)cccc2)cc1)([O]3=C8C)(OC(=[O]%17)C)OC(=[O]4)C)C)[OH2])[OH]C.OC.OC.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: 15.441 ± 0.0009 Å
• b: 17.2204 ± 0.001 Å
• c: 20.4129 ± 0.0011 Å
• α: 111.301 ± 0.002°
• β: 90.017 ± 0.002°
• γ: 101.333 ± 0.002°
• Cell volume: 4943.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 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: 0.0788
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No