Information card for entry 1546874

Structure parameters

• Formula: C66 H60 Cl4 Gd N2 Ni O11
• Calculated formula: C66 H60 Cl4 Gd N2 Ni O11
• SMILES: [Gd]123456([O]7[Ni]89%10([O]2c2c(cccc2[O]1C)C=[N]%10CC(O)C[N]9=Cc1c7c([O]6C)ccc1)[O]5C(c1ccccc1)=CC(=[O]8)c1ccccc1)([O]=C(C=C(O3)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)C=C(O4)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: 11.2556 ± 0.0016 Å
• b: 12.667 ± 0.002 Å
• c: 23.339 ± 0.004 Å
• α: 82.268 ± 0.015°
• β: 83.837 ± 0.011°
• γ: 77.065 ± 0.011°
• Cell volume: 3203.3 ± 0.9 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.037
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No