Information card for entry 4065601

Structure parameters

• Formula: C33 H39 Li O2 P2 S2
• Calculated formula: C33 H39 Li O2 P2 S2
• SMILES: [Li]1([S]=P(c2ccccc2)(c2ccccc2)C=P(S1)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O](CC)CC
• Title of publication: Synthesis and Structure of Magnesium and Group 13 Metal Bis(thiophosphinoyl)methanediide Complexes
• Authors of publication: Leung, Wing-Por; Wan, Chi-Ling; Mak, Thomas C. W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1622
• a: 10.4369 ± 0.0018 Å
• b: 10.6649 ± 0.0018 Å
• c: 17.073 ± 0.003 Å
• α: 81.831 ± 0.004°
• β: 73.596 ± 0.003°
• γ: 69.205 ± 0.003°
• Cell volume: 1702.4 ± 0.5 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: 0.1015
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No