Information card for entry 2221165

Structure parameters

• Chemical name: [1,3-Bis(2-ethoxyphenyl)triazenido]chloridomercury(II)
• Formula: C16 H18 Cl Hg N3 O2
• Calculated formula: C16 H18 Cl Hg N3 O2
• SMILES: [Hg]12(Cl)[O](c3c(N2N=[N]1c1c(OCC)cccc1)cccc3)CC
• Title of publication: [1,3-Bis(2-ethoxyphenyl)triazenido]chloridomercury(II)
• Authors of publication: Melardi, Mohammad Reza; Salemi, Yasaman; Razi Kazemi, Saba; Rofouei, Mohammad Kazem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m302
• a: 10.16 ± 0.0005 Å
• b: 7.3802 ± 0.0004 Å
• c: 22.5655 ± 0.0011 Å
• α: 90°
• β: 97.817 ± 0.001°
• γ: 90°
• Cell volume: 1676.3 ± 0.15 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: 0.0251
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes