Information card for entry 7043239

Structure parameters

• Formula: C108 H120.5 Cl2 N12 Ni7 O24.25
• Calculated formula: C108 H120 Cl2 N12 Ni7 O24.25
• Title of publication: Syntheses, Structures and Magnetic Properties of Tetranuclear Cubane-type and Heptanuclear Wheel-type Nickel(II) Complexes with 3-Methoxysalicylic Acid Derivatives
• Authors of publication: Kobayashi, Fumiya; Ohtani, Ryo; Teraoka, Saki; Kosaka, Wataru; Miyasaka, Hitoshi; Zhang, Yingjie; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 22.615 ± 0.003 Å
• b: 22.615 ± 0.003 Å
• c: 22.615 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11566 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No