Information card for entry 4069702

Structure parameters

• Formula: C36 H46 Li N O2 P2 S Si
• Calculated formula: C36 H46 Li N O2 P2 S Si
• SMILES: [O]1(CCCC1)[Li]1([O]2CCCC2)N(P(=CP(c2ccccc2)(c2ccccc2)=[S]1)(c1ccccc1)c1ccccc1)[Si](C)(C)C
• Title of publication: Synthesis and Structure of [Li2C(PPh2═NSiMe3)(PPh2═S)]: A Geminal Dianionic Ligand
• Authors of publication: Chen, Jun-Hui; Guo, Jiayi; Li, Yongxin; So, Cheuk-Wai
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4617
• a: 10.2337 ± 0.0004 Å
• b: 13.6527 ± 0.0005 Å
• c: 13.8046 ± 0.0005 Å
• α: 80.61 ± 0.002°
• β: 73.134 ± 0.002°
• γ: 82.871 ± 0.002°
• Cell volume: 1815.02 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.2597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No