Information card for entry 2020640

Structure parameters

• Chemical name: Poly[(μ-benzene-1,2-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^){μ-1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}cobalt(II)]
• Formula: C22 H18 Co N4 O4
• Calculated formula: C22 H18 Co N4 O4
• Title of publication: Structure and third-order nonlinear optical properties of the two-dimensional Co^II^ coordination polymer [Co(1,2-BIB)(PA)]~<i>n~</i> {1,2-BIB is 1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene and H~2~PA is phthalic acid}
• Authors of publication: Liu, Ping; Liu, Qiuxia; Zhao, Ning; An, Caixia; Lian, Zhaoxun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 890 - 894
• a: 12.4659 ± 0.0015 Å
• b: 14.4336 ± 0.0017 Å
• c: 11.849 ± 0.0015 Å
• α: 90°
• β: 115.366 ± 0.002°
• γ: 90°
• Cell volume: 1926.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes