Information card for entry 2022788

Structure parameters

• Chemical name: Diiodidobis[quinazolin-4(3<i>H</i>)-one-κ<i>N</i>^3^]cadmium(II)
• Formula: C16 H12 Cd I2 N4 O2
• Calculated formula: C16 H12 Cd I2 N4 O2
• 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: 22.242 ± 0.003 Å
• b: 6.845 ± 0.0009 Å
• c: 13.3702 ± 0.0017 Å
• α: 90°
• β: 118.822 ± 0.0016°
• γ: 90°
• Cell volume: 1783.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes