Information card for entry 2227040

Structure parameters

• Chemical name: Chlorido[1-(2-ethoxyphenyl)3-(4-nitrophenyl)triazenido]mercury(II)
• Formula: C14 H13 Cl Hg N4 O3
• Calculated formula: C14 H13 Cl Hg N4 O3
• SMILES: [Hg]12(Cl)[O](c3c(N1N=[N]2c1ccc(N(=O)=O)cc1)cccc3)CC
• Title of publication: Chlorido[1-(2-ethoxyphenyl)3-(4-nitrophenyl)triazenido]mercury(II)
• Authors of publication: Melardi, Mohammad Reza; Roohi, Zeynab; Heidari, Nazanin; Rofouei, Mohammad Kazem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m975
• a: 13.4829 ± 0.0005 Å
• b: 15.5746 ± 0.0006 Å
• c: 7.7545 ± 0.0003 Å
• α: 90°
• β: 107.635 ± 0.0006°
• γ: 90°
• Cell volume: 1551.85 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.755
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes