Information card for entry 1546872

Structure parameters

• Formula: C48 H58 Dy2 N4 Ni2 O22
• Calculated formula: C48 H58 Dy2 N4 Ni2 O22
• SMILES: [Dy]123456([O](C)c7c8[O]1[Ni]19([O]2c2c(C=[N]9CC(O)C[N]1=Cc8ccc7)cccc2[O]3C)([OH]CC)[O]=C1[O]6[Dy]2367([O]4C(=[O][Ni]489([O]3c3c(cccc3[O]2C)C=[N]8CC(O)C[N]9=Cc2cccc([O]7C)c2[O]64)[OH]CC)O5)(O1)OC(=O)C)OC(=O)C
• 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: 12.869 ± 0.003 Å
• b: 14.249 ± 0.003 Å
• c: 17.379 ± 0.004 Å
• α: 90°
• β: 92.38 ± 0.03°
• γ: 90°
• Cell volume: 3184 ± 1.2 ų
• Cell temperature: 128.6 ± 0.1 K
• Ambient diffraction temperature: 128.6 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No