Information card for entry 1551588

Structure parameters

• Formula: C43 H56 N4 Ni2 O11
• Calculated formula: C43 H55 N4 Ni2 O11
• SMILES: O1c2ccccc2C=[N]2CCOCCOCC[N]3[Ni]4512[O]1c2c(C=[N]6CCOCCOCC[N]7[Ni]16([O]4C)([O]5c1c(C=3)cccc1)Oc1ccccc1C=7)cccc2.OC.OC
• Title of publication: Ferromagnetic Dinuclear Nickel(II) Complex with a Schiff-base Having a Di-μ-phenolato-μ-methanol-bridged Core
• Authors of publication: LIM, Jongwan; SHIN, Yunseok; RYU, Sanghoon; MITSUHASHI, Ryoji; OMOTE, Masataka; SAKIYAMA, Hiroshi; MIKURIYA, Masahiro
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2017
• Journal volume: 33
• Journal issue: 0
• Pages of publication: 21
• a: 18.157 ± 0.002 Å
• b: 13.1691 ± 0.0017 Å
• c: 18.88 ± 0.003 Å
• α: 90°
• β: 110.483 ± 0.002°
• γ: 90°
• Cell volume: 4229 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No