Information card for entry 2208614

Structure parameters

• Chemical name: 1,1'-(Butane-1,4-diyl)bis(1H-benzimidazol-3-ium) diiodo(pyridine-2,6-dicarboxylato-κ^3^O,N,O')mercury(II)
• Formula: C25 H23 Hg I2 N5 O4
• Calculated formula: C25 H23 Hg I2 N5 O4
• SMILES: C1(=O)c2[n]3[Hg](I)(O1)(I)OC(c3ccc2)=O.c12ccccc2[nH+]cn1CCCCn1c2ccccc2[nH+]c1
• Title of publication: 1,1'-(Butane-1,4-diyl)bis(1<i>H</i>-benzimidazol-3-ium) diiodo(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')mercurate(II)
• Authors of publication: Bao, Tong-Hua; Hou, Zhen-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m801 - m803
• a: 21.696 ± 0.004 Å
• b: 15.158 ± 0.003 Å
• c: 8.9959 ± 0.0018 Å
• α: 90°
• β: 107.16 ± 0.03°
• γ: 90°
• Cell volume: 2826.8 ± 1.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0699
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No