Information card for entry 7703733

Structure parameters

• Formula: C67 H61 Dy5 N12 O25
• Calculated formula: C67 H61 Dy5 N12 O25
• SMILES: [Dy]1234567([O]8[Dy]9%10%11%12%13(Oc%14c(C=[N]%13N=C8c8[n]6c6c%13[n]7c(C7[O]2[Dy]2%15%16%17([O]%18[Dy]%19%20%21%22([O]%23[Dy]%24([O]1%19)(Oc1c(C=[N]%24N=C%23c%19ccc%23c([n]%22%19)c%19[n]%21c(C%18=N[N]%17=Cc%17c(O%15)cccc%17)ccc%19cc%23)cccc1)([OH]3)([O]=C([O]2%20)C)(OC(=[O]%11)C)[OH2])([OH2])[O]=C(O%10)C)([O]5=C([O]49)C)Oc1c(cccc1)C=[N]%16N=7)ccc%13ccc6cc8)cccc%14)[O]=C(O%12)C)[OH]C.O.O
• 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: 15.4027 ± 0.0002 Å
• b: 15.9505 ± 0.0003 Å
• c: 19.8366 ± 0.0004 Å
• α: 108.286 ± 0.002°
• β: 95.024 ± 0.001°
• γ: 102.381 ± 0.001°
• Cell volume: 4456.31 ± 0.15 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: 0.0605
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No