Information card for entry 2223507

Structure parameters

• Chemical name: [1,3-Bis(2-ethoxyphenyl)triazenido]bromidomercury(II)
• Formula: C16 H18 Br Hg N3 O2
• Calculated formula: C16 H18 Br Hg N3 O2
• SMILES: [Hg]1(Br)N(N=[N]1c1c(OCC)cccc1)c1c(OCC)cccc1
• Title of publication: [1,3-Bis(2-ethoxyphenyl)triazenido]bromidomercury(II)
• Authors of publication: Rofouei, Mohammad Kazem; Beiza, Armin; Attar Gharamaleki, Jafar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1259 - m1260
• a: 10.2359 ± 0.0007 Å
• b: 7.4659 ± 0.0005 Å
• c: 22.4123 ± 0.0014 Å
• α: 90°
• β: 98.86 ± 0.006°
• γ: 90°
• Cell volume: 1692.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes