Information card for entry 2214966

Structure parameters

• Chemical name: Bis[1,3-bis(1<i>H</i>-benzimidazol-2-yl)benzene-κ<i>N</i>^3^](succinato-\ κ^2^<i>O</i>,<i>O</i>')zinc(II)
• Formula: C44 H32 N8 O4 Zn
• Calculated formula: C44 H32 N8 O4 Zn
• SMILES: c12ccccc1[nH]c(c1cc(ccc1)c1[nH]c3c(n1)cccc3)[n]2[Zn]1(OC(=O)CCC(=O)O1)[n]1c2ccccc2[nH]c1c1cc(ccc1)c1[nH]c2ccccc2n1
• Title of publication: Bis[1,3-bis(1<i>H</i>-benzimidazol-2-yl)benzene-κ<i>N</i>^3^](succinato-κ^2^<i>O</i>,<i>O</i>')zinc(II), a succinate-chelated monomeric compound
• Authors of publication: Meng, Fa-Yan; Dong, Wu-Heng; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2398 - m2399
• a: 21.453 ± 0.002 Å
• b: 10.272 ± 0.001 Å
• c: 17.587 ± 0.002 Å
• α: 90°
• β: 109.411 ± 0.001°
• γ: 90°
• Cell volume: 3655.3 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes