Information card for entry 7214773

Structure parameters

• Formula: C12 H11 Br2 Hg N3 O2
• Calculated formula: C12 H11 Br2 Hg N3 O2
• 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: 7.9158 ± 0.0009 Å
• b: 8.1142 ± 0.0008 Å
• c: 13.4426 ± 0.0017 Å
• α: 98.167 ± 0.009°
• β: 94.158 ± 0.01°
• γ: 115.388 ± 0.008°
• Cell volume: 763.49 ± 0.16 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: 0.0991
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No