Information card for entry 7006813

Structure parameters

• Formula: C14 H16 Mn N10 O0 S2
• Calculated formula: C14 H16 Mn N10 S2
• SMILES: C1(=N[N]2=C(C)c3cncc[n]3[Mn]342(S1)[N](=C(C)c1cncc[n]31)N=C(N)S4)N
• 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: 10.9088 ± 0.0018 Å
• b: 10.9088 ± 0.0018 Å
• c: 22.362 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2661.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No