Information card for entry 7113477

Structure parameters

• Formula: C14 H14 Cd0.5 N3 O2 S
• Calculated formula: C14 H14 Cd0.5 N3 O2 S
• Title of publication: Controlled crystallization of mixed-ligand complexes of 1,3-bis(4-pyridyl)propane-N,N'-dioxide with metal(ii) thiocyanates: isostructurality in coordination networks bearing different mono- and di-nuclear nodes
• Authors of publication: Zhang, Lin-Ping; Lu, Wen-Jie; Mak, Thomas C. W.
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 22
• Pages of publication: 2830 - 2831
• a: 7.1151 ± 0.0012 Å
• b: 22.521 ± 0.004 Å
• c: 9.7076 ± 0.0017 Å
• α: 90°
• β: 99.21 ± 0.003°
• γ: 90°
• Cell volume: 1535.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No