Information card for entry 7104898

Structure parameters

• Formula: C14 H16 N3 O3 S Zn0.5
• Calculated formula: C14 H16 N3 O3 S Zn0.5
• 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 (Cambridge, England)
• Year of publication: 2003
• Journal issue: 22
• Pages of publication: 2830 - 2831
• a: 12.564 ± 0.003 Å
• b: 14.136 ± 0.003 Å
• c: 8.7786 ± 0.0018 Å
• α: 90°
• β: 94.28 ± 0.03°
• γ: 90°
• Cell volume: 1554.8 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7113479
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No