Information card for entry 7006817

Structure parameters

• Formula: C14 H22 Cl2 N10 Ni O10 S2
• Calculated formula: C14 H21 Cl2 N10 Ni O10 S2
• 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: 10.878 ± 0.0011 Å
• b: 10.878 ± 0.0011 Å
• c: 22.466 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2658.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0777
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No