Information card for entry 7006816

Structure parameters

• Formula: C15 H19 N10 O0.5 S2 Zn
• Calculated formula: C15 H19.12 N10 O0.52 S2 Zn
• Title of publication: Chiral aggregation and spontaneous resolution of thiosemicarbazone metal complexes.
• Authors of publication: Li, Mingxue; Sun, Qiaozhen; Bai, Yan; Duan, Chunying; Zhang, Bingguang; Meng, Qingjin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 21
• Pages of publication: 2572 - 2578
• a: 10.84 ± 0.002 Å
• b: 10.84 ± 0.002 Å
• c: 22.079 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2594.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No