Information card for entry 4504103

Structure parameters

• Formula: C14 H13 Br Hg I2 N4
• Calculated formula: C14 H13 Br Hg I2 N4
• SMILES: [Hg](I)(I)[n]1cn(cc1)Cc1cc(Br)cc(c1)Cn1cncc1
• 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: 8.419 ± 0.003 Å
• b: 9.236 ± 0.003 Å
• c: 12.274 ± 0.004 Å
• α: 102.489 ± 0.003°
• β: 95.987 ± 0.005°
• γ: 91.462 ± 0.003°
• Cell volume: 925.6 ± 0.5 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No