Information card for entry 4500330

Structure parameters

• Formula: C18 H12 N3 O4 S2 Zn
• Calculated formula: C18 H12 N3 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: 8.33 ± 0.004 Å
• b: 10.652 ± 0.006 Å
• c: 12.045 ± 0.006 Å
• α: 69.424 ± 0.006°
• β: 76.87 ± 0.007°
• γ: 79.897 ± 0.007°
• Cell volume: 969.1 ± 0.9 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: 0.1434
• Residual factor for significantly intense reflections: 0.1293
• Weighted residual factors for significantly intense reflections: 0.4124
• Weighted residual factors for all reflections included in the refinement: 0.4234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.742
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No