Information card for entry 2233223

Structure parameters

• Chemical name: {<i>N</i>-[1-(1<i>H</i>-Benzimidazol-2-yl)ethylidene-κ<i>N</i>^3^]- 3-(1<i>H</i>-imidazol-1-yl)propan-1-amine-κ<i>N</i>}dibromidomercury(II)
• Formula: C15 H17 Br2 Hg N5
• Calculated formula: C15 H17 Br2 Hg N5
• SMILES: [Hg]1(Br)(Br)[N](=C(c2[n]1c1c([nH]2)cccc1)C)CCCn1cncc1
• Title of publication: {<i>N</i>-[1-(1<i>H</i>-Benzimidazol-2-yl)ethylidene-κ<i>N</i>^3^]-3-(1<i>H</i>-imidazol-1-yl)propan-1-amine-κ<i>N</i>}dibromidomercury(II)
• Authors of publication: Wang, Qing; Fu, Zhong-Ye; Yu, Liang-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m44
• a: 10.3054 ± 0.0004 Å
• b: 10.668 ± 0.0004 Å
• c: 16.603 ± 0.0005 Å
• α: 90°
• β: 100.844 ± 0.003°
• γ: 90°
• Cell volume: 1792.71 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes