Information card for entry 7043238

Structure parameters

• Formula: C68 H80 Ni4 O24
• Calculated formula: C68 H80 Ni4 O24
• SMILES: [Ni]123([O]=C(c4c(O1)c(OC)ccc4)OCc1ccccc1)([OH]C)[O]1([Ni]45(Oc6c(OC)cccc6C(=[O]4)OCc4ccccc4)([O]3([Ni]34(Oc6c(OC)cccc6C(=[O]3)OCc3ccccc3)([O]2([Ni]21([O]=C(c1c(O2)c(OC)ccc1)OCc1ccccc1)([O]54C)[OH]C)C)[OH]C)C)[OH]C)C
• 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: 16.105 ± 0.003 Å
• b: 25.712 ± 0.005 Å
• c: 16.804 ± 0.003 Å
• α: 90°
• β: 92.54 ± 0.03°
• γ: 90°
• Cell volume: 6952 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No