Information card for entry 7214888

Structure parameters

• Formula: C19 H18 Hg I2 N4 O2 S
• Calculated formula: C19 H18 Hg I2 N4 O2 S
• SMILES: [Hg]1(I)(I)[n]2cccc3c4c(c5ccc[n]1c5c23)nc(c1cccs1)[nH]4.CO.CO
• Title of publication: Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline
• Authors of publication: Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 8023
• a: 7.562 ± 0.002 Å
• b: 14.037 ± 0.004 Å
• c: 22.806 ± 0.007 Å
• α: 90°
• β: 105.568 ± 0.004°
• γ: 90°
• Cell volume: 2332 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No