Information card for entry 7703734

Structure parameters

• Formula: C74 H65 Gd5 N16 O25
• Calculated formula: C74 H65 Gd5 N16 O25
• SMILES: [Gd]123456([OH2])[O]7[Gd]89%10%11%12%13[O]%14[Gd]%15%16%17%18%19%20(O[Gd]%21%22([O]=C(O[Gd]%23%24%25([O]=C(C)O%24)(OC(=[O]2)C)(Oc2ccccc2C=[N]%25N=C([O]%19%23)c2[n]%16c%16c%19[n]%18c(ccc%19c%18nccnc%18c%16cc2)C(=N[N]%13=Cc2c(O%11)cccc2)[O]8%15)[O]%17=C%14C)C)(Oc2c(C=[N]%21N=C([O]4%22)c4ccc8c%11nccnc%11c%11ccc([n]1c%11c8[n]54)C(=N[N]%12=Cc1ccccc1O9)[O]3%10)cccc2)([O]=C7C)[O]6%20)[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: 15.3903 ± 0.0011 Å
• b: 17.2122 ± 0.0014 Å
• c: 20.4239 ± 0.0016 Å
• α: 111.207 ± 0.003°
• β: 90.116 ± 0.004°
• γ: 101.204 ± 0.003°
• Cell volume: 4932.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.0988
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No