Information card for entry 2227463

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis[quinazolin-4(3<i>H</i>)-one-κ<i>N</i>^1^]cadmium(II)]- di-μ-chlorido]
• Formula: C16 H12 Cd Cl2 N4 O2
• Calculated formula: C16 H12 Cd Cl2 N4 O2
• SMILES: [Cd]1([Cl][Cd](Cl)([Cl]1)(Cl)([n]1c[nH]c(=O)c2ccccc12)[n]1c[nH]c(=O)c2ccccc12)([n]1c[nH]c(=O)c2ccccc12)[n]1c[nH]c(=O)c2ccccc12
• Title of publication: <i>catena</i>-Poly[[bis[quinazolin-4(3<i>H</i>)-one-κ<i>N</i>^1^]cadmium(II)]-di-μ-chlorido]
• Authors of publication: Turgunov, Kambarali; Englert, Ulli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1457
• a: 28.839 ± 0.006 Å
• b: 3.7309 ± 0.0007 Å
• c: 17.846 ± 0.004 Å
• α: 90°
• β: 123.26 ± 0.03°
• γ: 90°
• Cell volume: 1605.6 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes