Information card for entry 7043237

Structure parameters

• Formula: C16 H15 N3 Ni O5
• Calculated formula: C16 H15 N3 Ni O5
• SMILES: [Ni]123[n]4c(C=[N]3CCN2C(=O)c2c(O1)c(OC)ccc2)cccc4.O.O
• 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: 6.85643 ± 0.00016 Å
• b: 15.3741 ± 0.0004 Å
• c: 14.9966 ± 0.0004 Å
• α: 90°
• β: 95.5363 ± 0.0008°
• γ: 90°
• Cell volume: 1573.44 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No