Information card for entry 1516944

Structure parameters

• Formula: C44 H68 N4 Ni4 O20
• Calculated formula: C44 H68 N4 Ni4 O20
• SMILES: [Ni]1234(Oc5c(cccc5OC)C=[N]1CC[O]12[Ni]256(Oc7c(cccc7OC)C=[N]2CC[O]45[Ni]245([N](=Cc7c(O2)c(OC)ccc7)CC[O]34[Ni]231([N](=Cc1c(O2)c(OC)ccc1)CC[O]653)[OH]C)[OH]C)[OH]C)[OH]C.O.O.O.O
• Title of publication: Synthesis, structure and magnetism of three cubane Cu(II) and Ni(II) complexes based on flexible Schiff-base ligands
• Authors of publication: Zhengliang Lu; Tao Fan; Weiwei Guo; Jing Lu; Chunhua Fan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 191 - 196
• a: 14.106 ± 0.0016 Å
• b: 15.0618 ± 0.0018 Å
• c: 16.6812 ± 0.0011 Å
• α: 69.543 ± 0.009°
• β: 73.547 ± 0.008°
• γ: 72.281 ± 0.01°
• Cell volume: 3100.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No