Information card for entry 7239419

Structure parameters

• Formula: C16 H18 Cd N10 O
• Calculated formula: C16 H18 Cd N10 O
• Title of publication: Mixed azide and substituted 1,2,4-triazole co-ligand bridged 1D chain cadmium(ii) motif: crystal structure, Hirshfeld surfaces and spectroscopic studies
• Authors of publication: Luo, Yang-Hui; Wu, Dong-En; Ge, Shu-Wang; Li, Yuan; Sun, Bai-Wang
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 23
• Pages of publication: 11698
• a: 6.8829 ± 0.0014 Å
• b: 10.916 ± 0.002 Å
• c: 13.941 ± 0.003 Å
• α: 101.31 ± 0.03°
• β: 103.97 ± 0.03°
• γ: 96.41 ± 0.03°
• Cell volume: 982.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No