Information card for entry 4080725

Structure parameters

• Formula: C80 H64 Cl20 Ga4 P8 S8 Sn4
• Calculated formula: C80 H64 Cl20 Ga4 P8 S8 Sn4
• SMILES: C12(=P3(c4ccccc4)c4c(P1(c1ccccc1)=[S][Sn]2S3)cccc4)[Ga](Cl)(Cl)Cl.P12(=[S][Sn]3C1([Ga](Cl)(Cl)Cl)=P(S[Sn]1[S]=P4(C1(=P(c1ccccc41)(S3)c1ccccc1)[Ga](Cl)(Cl)Cl)c1ccccc1)(c1ccccc1)c1c2cccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.C12(=P3(c4ccccc4P1(=[S][Sn]2S3)c1ccccc1)c1ccccc1)[Ga](Cl)(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Reactivity of a Tin(II) 1,3-Benzodi(thiophosphinoyl)methanediide Complex toward Gallium, Germanium, and Zinc Compounds
• Authors of publication: Yang, Yi-Fan; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2643
• a: 17.431 ± 0.0006 Å
• b: 14.8843 ± 0.0005 Å
• c: 20.4573 ± 0.0007 Å
• α: 90°
• β: 105.154 ± 0.002°
• γ: 90°
• Cell volume: 5123 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No