Information card for entry 1564153

Structure parameters

• Formula: C90 H92 Co2 Gd4 N10 O34
• Calculated formula: C90 H92 Co2 Gd4 N10 O34
• SMILES: c12c3ccccc3ccc2[O]2[Co]3456[N](=C1)c1c(cccc1)C[O]14[Gd]4789%10([O]5c5c(c%11c(cc5)cccc%11)C=[N]3c3c(cccc3)C[O]64[Gd]34521([OH]8[Gd]126([OH]8[Gd]%11%12%13([O]%14c%15c(c%16c(cc%15)cccc%16)C=[N]%15c%16c(cccc%16)C[O]18[Co]18%14%15[N](=Cc%14c([O]21)ccc1ccccc1%14)c1c(cccc1)C[O]68%11)([O]=C(O9)C)([O]7C(=[O]%13)C)(ON(=O)=O)[O]=CN(C)C)([O]=C(O3)C)([O]4C(=[O]5)C)ON(=[O]%12)=O)(ON(=O)=O)[O]=CN(C)C)ON(=[O]%10)=O.C(C)O.C(C)O
• Title of publication: Structures and magnetic properties of two hexanuclear [Co2Ln4]complexes
• Authors of publication: Wang, Yingying; Yuan, Zhuangdong; Ren, Hong; Xu, Weiyu; Xu, Jiali; Zhang, Huanzhen; Sha, Jingquan; Zhang, Haifeng
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 511
• Pages of publication: 119786
• a: 15.199 ± 0.003 Å
• b: 15.165 ± 0.003 Å
• c: 20.787 ± 0.004 Å
• α: 90°
• β: 91.18 ± 0.003°
• γ: 90°
• Cell volume: 4790.2 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No