Information card for entry 1546873

Structure parameters

• Formula: C31 H24 F15 Gd N2 Ni O12
• Calculated formula: C31 H24 F15 Gd N2 Ni O12
• SMILES: [Gd]123456([O]7[Ni]89([OH2])([O]3c3c([O]1C)cccc3C=[N]9CC(O)C[N]8=Cc1c7c([O]5C)ccc1)[O]=C(O2)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: 18.293 ± 0.004 Å
• b: 12.677 ± 0.002 Å
• c: 16.658 ± 0.003 Å
• α: 90°
• β: 97.715 ± 0.005°
• γ: 90°
• Cell volume: 3828 ± 1.2 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: 0.0788
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.2102
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No