Information card for entry 7707154

Structure parameters

• Common name: Zinc-Organic Compound
• Formula: C18 H13 N3 O5 S2 Zn
• Calculated formula: C18 H13 N3 O5 S2 Zn
• Title of publication: Response of a Zn(II)-based metal-organic coordination polymer towards trivalent metal ions (Al³⁺, Fe³⁺ and Cr³⁺) probed by spectroscopic methods.
• Authors of publication: Daga, Pooja; Manna, Priyanka; Majee, Prakash; Singha, Debal Kanti; Hui, Sayani; Ghosh, Ananta Kumar; Mahata, Partha; Mondal, Sudip Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 21
• Pages of publication: 7388 - 7399
• a: 16.3951 ± 0.0013 Å
• b: 7.6405 ± 0.0006 Å
• c: 16.1518 ± 0.0012 Å
• α: 90°
• β: 113.604 ± 0.002°
• γ: 90°
• Cell volume: 1854 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No