Information card for entry 7224260

Structure parameters

• Chemical name: Mercury Iodide complex(zohori-Tez-Masoudi)
• Formula: C22 H23 Hg I2 N5 O4
• Calculated formula: C22 H23 Hg I2 N5 O4
• SMILES: [Hg]12(I)(I)[N](=C\C=C\c3c(N(=O)=O)cccc3)/CC[NH]1CC/[N]2=C/C=C/c1ccccc1N(=O)=O
• Title of publication: Structural and computational study of some new nano-structured Hg(II) compounds: a combined X-ray, Hirshfeld Surface and NBO analyses
• Authors of publication: Montazerozohori, Morteza; Masoudiasl, Ardavan; Doert, Thomas; Seykens, Heidi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.1329 ± 0.0003 Å
• b: 7.3046 ± 0.0003 Å
• c: 14.7198 ± 0.0007 Å
• α: 97.922 ± 0.002°
• β: 97.425 ± 0.002°
• γ: 117.095 ± 0.0018°
• Cell volume: 660.03 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No