Information card for entry 4509720

Structure parameters

• Formula: C11 H16 Cd1.5 N6 O5.5
• Calculated formula: C11 H16 Cd1.5 N6 O5.5
• Title of publication: Unusual Polymeric ZnII/CdIIComplexes with 2,6-Diaminopurine by Synergistic Coordination of Nucleobases and Polycarboxylate Anions: Binding Behavior, Self-Assembled Pattern of the Nucleobase, and Luminscent Properties
• Authors of publication: Yang, En-Cui; Chan, Ya-Nan; Liu, Hui; Wang, Zhi-Chao; Zhao, Xiao-Jun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4933
• a: 9.4679 ± 0.0006 Å
• b: 11.8326 ± 0.0007 Å
• c: 14.2259 ± 0.0009 Å
• α: 90°
• β: 90.711 ± 0.001°
• γ: 90°
• Cell volume: 1593.6 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No