Information card for entry 7214774

Structure parameters

• Formula: C13 H13 Hg I2 N3 O2
• Calculated formula: C13 H13 Hg I2 N3 O2
• SMILES: c1c[n](cc(C(=O)Nc2ccccc2OCC)n1)[Hg](I)I
• 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: 7.9431 ± 0.0007 Å
• b: 8.9284 ± 0.0008 Å
• c: 12.9309 ± 0.0012 Å
• α: 93.369 ± 0.007°
• β: 97.228 ± 0.007°
• γ: 104.449 ± 0.007°
• Cell volume: 877.1 ± 0.14 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: 0.066
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No