Information card for entry 7214772

Structure parameters

• Formula: C24 H22 Cl2 Hg N6 O4
• Calculated formula: C24 H22 Cl2 Hg N6 O4
• SMILES: COc1ccccc1NC(=O)c1nccnc1.Cl[Hg]Cl.COc1ccccc1NC(=O)c1nccnc1
• 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: 6.7123 ± 0.0006 Å
• b: 13.9195 ± 0.0017 Å
• c: 26.783 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2502.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No