Information card for entry 1546870

Structure parameters

• Formula: C48 H58 Ho2 N4 Ni2 O22
• Calculated formula: C48 H58 Ho2 N4 Ni2 O22
• SMILES: [Ho]123456([O](C)c7c8[O]1[Ni]19([O]4c4c(C=[N]9CC(O)C[N]1=Cc8ccc7)cccc4[O]5C)([O]=C1[O]6[Ho]4567([O]2C(=[O][Ni]289([O]5c5c([O]4C)cccc5C=[N]8CC(O)C[N]9=Cc4cccc([O]7C)c4[O]62)[OH]CC)O3)(O1)OC(=O)C)[OH]CC)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: 12.906 ± 0.003 Å
• b: 14.263 ± 0.003 Å
• c: 17.352 ± 0.004 Å
• α: 90°
• β: 92.13 ± 0.03°
• γ: 90°
• Cell volume: 3191.9 ± 1.2 ų
• Cell temperature: 128.35 ± 0.1 K
• Ambient diffraction temperature: 128.35 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No