Information card for entry 2022787

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[quinazolin-4(3<i>H</i>)-one-κ<i>N</i>^3^]mercury(II)]-di-μ-chlorido]
• Formula: C8 H6 Cl2 Hg N2 O
• Calculated formula: C8 H6 Cl2 Hg N2 O
• Title of publication: Metal halide coordination compounds with quinazolin-4(3H)-one
• Authors of publication: Turgunov, Kambarali K.; Englert, Ulli
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 7
• a: 6.8191 ± 0.0008 Å
• b: 7.0735 ± 0.0008 Å
• c: 10.4659 ± 0.0012 Å
• α: 85.718 ± 0.002°
• β: 80.7887 ± 0.0019°
• γ: 89.152 ± 0.002°
• Cell volume: 496.92 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes