Information card for entry 1546877

Structure parameters

• Formula: C66 H57 Cl4 Ho N2 Ni O11
• Calculated formula: C66 H57 Cl4 Ho N2 Ni O11
• SMILES: [Ho]123456([O](C)c7c8[O]1[Ni]19%10([O]2c2c(C=[N]%10CC(O)C[N]9=Cc8ccc7)cccc2[O]3C)[O]=C(C=C([O]41)c1ccccc1)c1ccccc1)([O]=C(C=C(O5)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)C=C(O6)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: 11.277 ± 0.0004 Å
• b: 12.697 ± 0.0005 Å
• c: 23.3931 ± 0.0008 Å
• α: 81.822 ± 0.003°
• β: 83.284 ± 0.003°
• γ: 76.675 ± 0.003°
• Cell volume: 3213.9 ± 0.2 ų
• Cell temperature: 128.75 ± 0.1 K
• Ambient diffraction temperature: 128.75 ± 0.1 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: 0.0439
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No