Information card for entry 4504104

Structure parameters

• Chemical name: [Hg3I6(F1)2]-2DMF
• Formula: C36 H38 Hg3 I6 N14 O2
• Calculated formula: C36 H38 Hg3 I6 N14 O2
• 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: 21.676 ± 0.017 Å
• b: 15.86 ± 0.011 Å
• c: 18.097 ± 0.012 Å
• α: 90°
• β: 121.5 ± 0.02°
• γ: 90°
• Cell volume: 5305 ± 7 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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 all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0397
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No