Information card for entry 4322617

Structure parameters

• Formula: C15 H34 Cu F6 N7 Ni O3 P S
• Calculated formula: C15 H34 Cu F6 N7 Ni O3 P S
• SMILES: [Cu]123[N](=C4C(=[N]2CCC[NH2]1)O[Ni]1(O4)([OH2])([N](CC[N]1(C)C)(C)C)N=C=S)CCC[NH2]3.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and Magnetic Properties of Four New (Cu-Ni)2 Tetranuclear Complexes of General Formula [Cu(oxpn)Ni(μ-NCS)(H2O)(aa)]2(X)2 (oxpn =N,N'-Bis(3-aminopropyl)oxamide; aa = Bidentate Amine; X = ClO4- or PF6-). Ferro- and Antiferromagnetic Alternation
• Authors of publication: Joan Ribas; Carmen Diaz; Ramon Costa; Javier Tercero; Xavier Solans; Mercé Font-Bardía; Helen Stoeckli-Evans
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 233 - 239
• a: 9.059 ± 0.008 Å
• b: 12.604 ± 0.002 Å
• c: 12.743 ± 0.004 Å
• α: 95.27 ± 0.06°
• β: 99.22 ± 0.02°
• γ: 108.86 ± 0.07°
• Cell volume: 1342.9 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections: 0.1703
• Weighted residual factors for significantly intense reflections: 0.1674
• Goodness-of-fit parameter for all reflections: 1.37
• Goodness-of-fit parameter for significantly intense reflections: 1.413
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No