Information card for entry 7214771

Structure parameters

• Formula: C12 H11 Hg I2 N3 O2
• Calculated formula: C12 H11 Hg I2 N3 O2
• SMILES: I[Hg](I)[n]1cc(C(=O)Nc2c(cccc2)OC)ncc1
• Title of publication: Influence of ligand substituent on structural assembly and coordination geometry
• Authors of publication: Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7236
• a: 6.9418 ± 0.0011 Å
• b: 7.9241 ± 0.0011 Å
• c: 16.6673 ± 0.0019 Å
• α: 82.282 ± 0.01°
• β: 82.029 ± 0.011°
• γ: 66.661 ± 0.011°
• Cell volume: 830.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0738
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No