Information card for entry 4322853

Structure parameters

• Formula: C65 H88 N15 Ni5 O17
• Calculated formula: C62.6 H49 N15 Ni5 O16.7
• Title of publication: Polynuclear Nickel(II) Complexes: Preparation, Characterization, Magnetic Properties, and Quantum-Chemical Study of [Ni5(OH)(Rbta)5(acac)4(H2O)4] (RbtaH = Benzotriazole and 5,6-Dimethylbenzotriazole)
• Authors of publication: Vasilis Tangoulis; Catherine P. Raptopoulou; Aris Terzis; Evangelos G. Bakalbassis; Eleanna Diamantopoulou; Spyros P. Perlepes
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3142 - 3153
• a: 13.855 ± 0.001 Å
• b: 12.013 ± 0.001 Å
• c: 25.611 ± 0.002 Å
• α: 89.02 ± 0.01°
• β: 104.76 ± 0.02°
• γ: 111.78 ± 0.01°
• Cell volume: 3813.5 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0825
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections: 0.2742
• Weighted residual factors for significantly intense reflections: 0.1297
• Goodness-of-fit parameter for all reflections: 1.542
• Goodness-of-fit parameter for significantly intense reflections: 0.888
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No