Information card for entry 1516945

Structure parameters

• Formula: C48 H80 N4 Ni4 O22
• Calculated formula: C48 H76 N4 Ni4 O22
• SMILES: [Ni]1234([N](=Cc5c(c(ccc5)OC)O1)CCC[O]12[Ni]256([N](=Cc7c(c(ccc7)OC)O2)CCC[O]25[Ni]571([N](=Cc1c(c(ccc1)OC)O5)CCC[O]37[Ni]132([N](=Cc2c(c(ccc2)OC)O1)CCC[O]463)OC)OC)OC)OC.O.O.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: 14.9988 ± 0.0014 Å
• b: 15.1184 ± 0.0016 Å
• c: 17.0828 ± 0.0016 Å
• α: 68.287 ± 0.01°
• β: 66.409 ± 0.009°
• γ: 70.254 ± 0.01°
• Cell volume: 3215.1 ± 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: 0.1562
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No