Information card for entry 1546880

Structure parameters

• Formula: C31 H24 F15 N2 Ni O12 Tb
• Calculated formula: C31 H24 F15 N2 Ni O12 Tb
• SMILES: [Tb]123456([O]7[Ni]89([N](CC(O)C[N]9=Cc9c7c([O]1C)ccc9)=Cc1cccc([O]3C)c1[O]28)([OH2])[O]=C(O5)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O6)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F
• 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: 18.2854 ± 0.0007 Å
• b: 12.6822 ± 0.0004 Å
• c: 16.6662 ± 0.0005 Å
• α: 90°
• β: 97.946 ± 0.004°
• γ: 90°
• Cell volume: 3827.8 ± 0.2 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9983
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No