Information card for entry 2223862

Structure parameters

• Chemical name: Tetra-μ-benzoato-κ^8^<i>O</i>:<i>O</i>'-bis[(benzoic acid-κ<i>O</i>)nickel(II)]
• Formula: C42 H32 Ni2 O12
• Calculated formula: C42 H32 Ni2 O12
• SMILES: O1[Ni]234([O]=C(O)c5ccccc5)[O]=C(c5ccccc5)O[Ni]4([O]=C1c1ccccc1)([O]=C(c1ccccc1)O3)(OC(c1ccccc1)=[O]2)[O]=C(O)c1ccccc1
• Title of publication: Tetra-μ-benzoato-κ^8^<i>O</i>:<i>O</i>'-bis[(benzoic acid-κ<i>O</i>)nickel(II)]
• Authors of publication: Deng, Ji-Hua; Yi, Yan-Ping; Xiong, Zhi-Xing; Yuan, Lin; Mei, Guang-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1484
• a: 10.7685 ± 0.0008 Å
• b: 11.7173 ± 0.0007 Å
• c: 15.258 ± 0.001 Å
• α: 90°
• β: 91.354 ± 0.003°
• γ: 90°
• Cell volume: 1924.7 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes