Information card for entry 7055624

Structure parameters

• Formula: C50 H54 N10 Ni2 O30 Tb2
• Calculated formula: C50 H54 N10 Ni2 O30 Tb2
• SMILES: C[O]1c2cccc3c2[O]2[Ni]456([N](OCCO[N]6=C3)=Cc3c6[O]4[Tb]4712([O](c6ccc3)C)(OC(=[O]5)c1ccc(C2=[O][Ni]356([N]8=Cc9cccc%10c9[O]5[Tb]59%11([O]%10C)([O]6c6c(C=[N]3OCCO8)cccc6[O]5C)(O2)(ON(=[O]9)=O)ON(=[O]%11)=O)[O]=CN(C)C)cc1)(ON(=[O]4)=O)ON(=[O]7)=O)[O]=CN(C)C
• Title of publication: Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties
• Authors of publication: Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 6998
• a: 10.5724 ± 0.0008 Å
• b: 12.5483 ± 0.0012 Å
• c: 13.8671 ± 0.0007 Å
• α: 99.027 ± 0.006°
• β: 95.068 ± 0.005°
• γ: 101.985 ± 0.007°
• Cell volume: 1763.3 ± 0.2 ų
• Cell temperature: 296.71 ± 0.1 K
• Ambient diffraction temperature: 296.71 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No