Information card for entry 4504105

Structure parameters

• Chemical name: [Hg3I6(timpt)2]-4(H2O)
• Formula: C66 H62 Hg3 I6 N18 O4
• Calculated formula: C66 H54 Hg3 I6 N18 O4
• 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: 8.913 ± 0.003 Å
• b: 13.306 ± 0.005 Å
• c: 37.689 ± 0.011 Å
• α: 80.808 ± 0.012°
• β: 87.933 ± 0.012°
• γ: 72.027 ± 0.013°
• Cell volume: 4197 ± 2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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 all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No