Information card for entry 4330531

Structure parameters

• Formula: C60 H60 Cu4 N4 O12
• Calculated formula: C60 H60 Cu4 N4 O12
• SMILES: c12O[Cu]34[N](=Cc2c2c(cc1)cccc2)[C@](C[O]3[Cu]12[N](=Cc3c(O1)ccc1ccccc31)[C@@](C[O]2[Cu]12Oc3ccc5ccccc5c3C=[N]1[C@](C[O]2[Cu]12Oc3c(c5ccccc5cc3)C=[N]1[C@@](C[O]42)(CO)C)(CO)C)(CO)C)(CO)C
• Title of publication: Employment of a New Tripodal Ligand for the Synthesis of Cobalt(II/III), Nickel(II), and Copper(II) Clusters: Magnetic, Optical, and Thermal Properties
• Authors of publication: Angelos B. Canaj; Demetrios I. Tzimopoulos; Aggelos Philippidis; George E. Kostakis; Constantinos J. Milios
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10461 - 10470
• a: 19.72 ± 0.002 Å
• b: 14.6735 ± 0.0017 Å
• c: 18.5807 ± 0.0017 Å
• α: 90°
• β: 93.943 ± 0.008°
• γ: 90°
• Cell volume: 5363.8 ± 1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No