Information card for entry 7029314

Structure parameters

• Formula: C26 H26 Ga N16 S2
• Calculated formula: C26 H26 Ga N16 S2
• SMILES: c1cncc2C(C)=[N]3N=C(S[Ga]453([n]12)[n]1ccncc1C(C)=[N]4N=C(S5)N/N=C(\C)c1nccnc1)N/N=C(\C)c1nccnc1
• 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: 13.4347 ± 0.0009 Å
• b: 31.954 ± 0.002 Å
• c: 33.272 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14283.4 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No