Information card for entry 4504101

Structure parameters

• Formula: C14.5 H15 Hg I2 N4 O0.5
• Calculated formula: C14.5 H15 Hg I2 N4 O0.5
• SMILES: [Hg](I)(I)[n]1cn(cc1)c1ccc(cc1)Cn1cncc1.OCC
• Title of publication: Structure Variation of Mercury(II) Halide Complexes with Different Imidazole-Containing Ligands
• Authors of publication: Wang, Xiao-Feng; Lv, Yang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Wu, Gang; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1125
• a: 25.22 ± 0.02 Å
• b: 10.017 ± 0.007 Å
• c: 15.757 ± 0.011 Å
• α: 90°
• β: 103.794 ± 0.011°
• γ: 90°
• Cell volume: 3866 ± 5 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No