Information card for entry 2222783

Structure parameters

• Chemical name: [μ-1,1'-(Butane-1,4-diyl)di-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^3^: <i>N</i>^3'^]bis{[<i>N</i>,<i>N</i>'-bis(carboxymethyl)ethylenediamine- <i>N</i>,<i>N</i>'-diacetato-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>N</i>, <i>N</i>']mercury(II)} methanol disolvate
• Formula: C40 H54 Hg2 N8 O18
• Calculated formula: C40 H54 Hg2 N8 O18
• SMILES: c12ccccc1n(c[n]2[Hg]1234[N](CC(=[O]2)O)(CC(=O)[O]3)CC[N]1(CC(=O)[O]4)CC(=O)O)CCCCn1c2c(cccc2)[n](c1)[Hg]1234[N](CC(=[O]2)O)(CC(=[O]3)[O])CC[N]1(CC(=[O]4)[O])CC(=O)O.CO.OC
• Title of publication: [μ-1,1'-(Butane-1,4-diyl)di-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis{[<i>N</i>,<i>N</i>'-bis(carboxymethyl)ethylenediamine-<i>N</i>,<i>N</i>'-diacetato-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>N</i>,<i>N</i>']mercury(II)} methanol disolvate
• Authors of publication: Zhu, Xue-Wen; Xiao, Bo; Yin, Zhi-Gang; Qian, Heng-Yu; Li, Gang-Sen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m912
• a: 10.274 ± 0.002 Å
• b: 19.99 ± 0.003 Å
• c: 11.4717 ± 0.0017 Å
• α: 90°
• β: 104.035 ± 0.013°
• γ: 90°
• Cell volume: 2285.7 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes