Information card for entry 7006815

Structure parameters

• Formula: C14 H21 B F4 N10 O2 S2 Zn
• Calculated formula: C14 H20.52 B F4 N10 O2.01 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: 10.8203 ± 0.001 Å
• b: 10.8203 ± 0.001 Å
• c: 22.637 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2650.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1182
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No