Information card for entry 4322854

Structure parameters

• Formula: C72 H101 N15 Ni5 O17
• Calculated formula: C72 H101 N15 Ni5 O17
• 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: 19.085 ± 0.003 Å
• b: 20.142 ± 0.003 Å
• c: 22.574 ± 0.004 Å
• α: 90°
• β: 103.3 ± 0.01°
• γ: 90°
• Cell volume: 8445 ± 2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0469
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.0735
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No