Information card for entry 2227908

Structure parameters

• Chemical name: Bis[1-(2-ethoxyphenyl)-3-(4-nitrophenyl)triazenido]mercury(II)
• Formula: C28 H26 Hg N8 O6
• Calculated formula: C28 H26 Hg N8 O6
• SMILES: c1c2c(ccc1)[O]([Hg]1(N(N=Nc3cccc(c3)N(=O)=O)c3c(cccc3)[O]1CC)N2N=Nc1cccc(c1)N(=O)=O)CC
• Title of publication: Bis[1-(2-ethoxyphenyl)-3-(4-nitrophenyl)triazenido]mercury(II)
• Authors of publication: Rofouei, Mohammad Kazem; Fereyduni, Ehsan; Attar Gharamaleki, Jafar; Bruno, Giuseppe; Amiri Rudbari, Hadi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1082
• a: 15.4637 ± 0.0003 Å
• b: 18.6594 ± 0.0004 Å
• c: 9.8008 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2827.96 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes