Information card for entry 4078226

Structure parameters

• Formula: C39 H44 N2 O P2 S Si Sn
• Calculated formula: C39 H44 N2 O P2 S Si Sn
• SMILES: C12(CC3CC(C1)CC(C3)C2)N1C(=O)C2([Sn]1[N]([Si](C)(C)C)=P2(c1ccccc1)c1ccccc1)P(c1ccccc1)(c1ccccc1)=S
• Title of publication: Reactivity of a Tin(II) (Iminophosphinoyl)(thiophosphinoyl)methanediide Complex toward Isocyanates and Rhodium(I) Chloride
• Authors of publication: Guo, Jia-Yi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 3888
• a: 30.8813 ± 0.0011 Å
• b: 11.158 ± 0.0004 Å
• c: 22.3386 ± 0.0008 Å
• α: 90°
• β: 104.853 ± 0.002°
• γ: 90°
• Cell volume: 7440.1 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.351
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No