Information card for entry 2022786

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[quinazolin-4(3<i>H</i>)-one-κ<i>N</i>^3^]cadmium(II)]-di-μ-bromido]
• Formula: C8 H6 Br2 Cd N2 O
• Calculated formula: C8 H6 Br2 Cd 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: 10.793 ± 0.0011 Å
• b: 7.2019 ± 0.0007 Å
• c: 13.7605 ± 0.0014 Å
• α: 90°
• β: 100.47 ± 0.0018°
• γ: 90°
• Cell volume: 1051.79 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes