Information card for entry 7218057

Structure parameters

• Formula: C13 H15 Cd Cl2 N5
• Calculated formula: C13 H15 Cd Cl2 N5
• Title of publication: Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties
• Authors of publication: Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 9896
• a: 9.3734 ± 0.0005 Å
• b: 18.5736 ± 0.0005 Å
• c: 9.2232 ± 0.0003 Å
• α: 90°
• β: 107.887 ± 0.005°
• γ: 90°
• Cell volume: 1528.12 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0321
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No