Information card for entry 8106977

Structure parameters

• Formula: C22 H24 Cl2 Hg N10 O
• Calculated formula: C22 H24 Cl2 Hg N10 O
• Title of publication: Crystal structure of aquadichloridobis(1-((2-methyl-1H-imidazol-1-yl)methyl)-1H-benotriazole-κN)mercury(II), C22H24Cl2HgN10O
• Authors of publication: Yang, Hai-Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 687 - 688
• a: 7.8093 ± 0.0003 Å
• b: 23.167 ± 0.003 Å
• c: 14.0254 ± 0.0004 Å
• α: 90°
• β: 91.747 ± 0.003°
• γ: 90°
• Cell volume: 2536.3 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0341
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No