Information card for entry 7218862

Structure parameters

• Formula: C17 H11 Cd N7 O3
• Calculated formula: C17 H11 Cd N7 O3
• Title of publication: Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties
• Authors of publication: Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 830
• a: 8.5178 ± 0.0003 Å
• b: 14.4262 ± 0.0006 Å
• c: 14.9256 ± 0.0005 Å
• α: 90°
• β: 100.234 ± 0.003°
• γ: 90°
• Cell volume: 1804.87 ± 0.12 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No