Information card for entry 7218868

Structure parameters

• Formula: C26 H18 Cd N10 O4
• Calculated formula: C26 H18 Cd N10 O4
• SMILES: [Cd]123(ON(=[O]1)=O)([OH2])([n]1ccccc1c1[n]2c(c(nc1c1ncccc1)c1ncccc1)c1[n]3cccc1)N=C=NC#N
• 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: 14.204 ± 0.005 Å
• b: 9.8521 ± 0.0004 Å
• c: 18.7354 ± 0.0006 Å
• α: 90°
• β: 94.64 ± 0.03°
• γ: 90°
• Cell volume: 2613.2 ± 0.9 ų
• Cell temperature: 293.5 K
• Ambient diffraction temperature: 293.5 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: 0.0489
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No