Information card for entry 4500331

Structure parameters

• Formula: C25 H20 N4 O4 S2 Zn
• Calculated formula: C25 H20 N4 O4 S2 Zn
• Title of publication: Syntheses and Crystal Structures of a Series of Zn(II)/Cd(II) Coordination Polymers Constructed from a Flexible 6,6′-Dithiodinicotinic Acid
• Authors of publication: Zhang, Ya-Nan; Liu, Ping; Wang, Yao-Yu; Wu, Ling-Yue; Pang, Ling-Yan; Shi, Qi-Zhen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1531
• a: 7.9715 ± 0.0018 Å
• b: 11.701 ± 0.003 Å
• c: 15.038 ± 0.003 Å
• α: 72.375 ± 0.003°
• β: 82.931 ± 0.003°
• γ: 75.442 ± 0.003°
• Cell volume: 1292.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No