Information card for entry 1546869

Structure parameters

• Formula: C66 H57 Cl4 N2 Ni O11 Tb
• Calculated formula: C66 H57 Cl4 N2 Ni O11 Tb
• SMILES: [Tb]123456([O](C)c7c8[O]1[Ni]19%10([O]2c2c(C=[N]%10CC(O)C[N]9=Cc8ccc7)cccc2[O]3C)[O]4C(=CC(=[O]1)c1ccccc1)c1ccccc1)([O]=C(c1ccccc1)C=C(O5)c1ccccc1)[O]=C(c1ccccc1)C=C(O6)c1ccccc1.ClCCl.ClCCl
• Title of publication: Three series of heterometallic Ni ^II –Ln ^III Schiff base complexes: synthesis, crystal structures and magnetic characterization
• Authors of publication: Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 37
• Pages of publication: 12558 - 12573
• a: 11.289 ± 0.0004 Å
• b: 12.7006 ± 0.0004 Å
• c: 23.3948 ± 0.0008 Å
• α: 82.054 ± 0.003°
• β: 83.489 ± 0.003°
• γ: 76.859 ± 0.003°
• Cell volume: 3223.38 ± 0.19 ų
• Cell temperature: 127.6 ± 0.1 K
• Ambient diffraction temperature: 127.6 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No