Information card for entry 7228557

Structure parameters

• Formula: C78 H66 Dy4 N18 O22
• Calculated formula: C78 H66 Dy4 N18 O22
• SMILES: c1ccc2cn1=[O][Dy]13456([N](N=C(O4)c4cn(=O)ccc4)=Cc4[n]1c1c(cc4)cccc1[O]5[Dy]1457([N](=Cc8ccc9cccc([O]35)c9[n]18)N=C(c1cccn(c1)=[O][Dy]13589([N](N=C(O5)c5cn(=O)ccc5)=Cc5[n]1c1c(cc5)cccc1[O]8[Dy]158%10([N](=Cc%11[n]1c1c([O]38)cccc1cc%11)N=C2O5)([O]=C(O9)C)[O]=C(C)O%10)[O]=CN(C)C)O4)([O]=C(O6)C)[O]=C(C)O7)[O]=CN(C)C
• Title of publication: Construction and magnetic study of two new dysprosium complexes with chain or tetranuclear structure
• Authors of publication: Yang, Jing; Ma, Fang; Deng, Xuebin; Sun, Hao-Ling; Zhang, Yiquan
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 10.5185 ± 0.0004 Å
• b: 12.0831 ± 0.0004 Å
• c: 16.6476 ± 0.0004 Å
• α: 104.64 ± 0.003°
• β: 93.446 ± 0.003°
• γ: 92.084 ± 0.003°
• Cell volume: 2040.53 ± 0.12 ų
• Cell temperature: 212 ± 30 K
• Ambient diffraction temperature: 212 ± 30 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: 0.0412
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0244
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No