Information card for entry 7029315

Structure parameters

• Formula: C30 H33 N9 O3 S Sn
• Calculated formula: C30 H33 N9 O3 S Sn
• SMILES: [Sn]123(SC(=N[N]2=C(c2[n]1ccnc2)C)N/N=C(\C)c1nccnc1)(c1ccccc1)(c1ccccc1)OC(=[O]3)C.N(C=O)(C)C
• Title of publication: Main group bismuth(iii), gallium(iii) and diorganotin(iv) complexes derived from bis(2-acetylpyrazine)thiocarbonohydrazone: synthesis, crystal structures and biological evaluation.
• Authors of publication: Zhang, Nan; Tai, Yanxue; Li, Mingxue; Ma, Pengtao; Zhao, Junwei; Niu, Jingyang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 13
• Pages of publication: 5182 - 5189
• a: 10.916 ± 0.002 Å
• b: 11.864 ± 0.0018 Å
• c: 14.183 ± 0.002 Å
• α: 86.149 ± 0.003°
• β: 69.356 ± 0.002°
• γ: 67.672 ± 0.003°
• Cell volume: 1585.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No