Information card for entry 7703735

Structure parameters

• Formula: C66 H57 Dy5 N12 O23
• Calculated formula: C66 H59 Dy5 N12 O23
• SMILES: [Dy]123456[O]7[Dy]89%10%11%12([O]%13[Dy]%14%15%16%17(Oc%18c(C=[N]%17N=C%13c%13[n]%12c%12c%17[n]%11c(C([O]38)=N[N]6=Cc3c(O2)cccc3)ccc%17ccc%12cc%13)cccc%18)([O]2[Dy]368%117([OH]1)([OH]C)[O]([Dy]17([O]=C(O5)C)(OC(=[O]9)C)(Oc5c(C=[N]7N=C([O]61)c1[n]8c6c(ccc7c6[n]%11c(C([O]%143)=N[N]%16=Cc3ccccc3O%15)cc7)cc1)cccc5)([OH2])[OH2])=C2C)[O]%10C(=[O]4)C)O.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: 15.6215 ± 0.0003 Å
• b: 16.9622 ± 0.0003 Å
• c: 20.0435 ± 0.0004 Å
• α: 74.828 ± 0.002°
• β: 73.689 ± 0.002°
• γ: 62.78 ± 0.002°
• Cell volume: 4477.19 ± 0.17 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: 0.0703
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No