Information card for entry 4335828

Structure parameters

• Formula: C24 H36 P2 Pb S2
• Calculated formula: C24 H36 P2 Pb S2
• SMILES: [Pb]12(Sc3ccccc3[P]1(C(C)C)C(C)C)Sc1ccccc1[P]2(C(C)C)C(C)C
• Title of publication: Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability
• Authors of publication: Brian M. Barry; Benjamin W. Stein; Christopher A. Larsen; Melissa N. Wirtz; William E. Geiger; Rory Waterman; Richard A. Kemp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9875 - 9884
• a: 11.6851 ± 0.0006 Å
• b: 15.2737 ± 0.0009 Å
• c: 15.4587 ± 0.0009 Å
• α: 90°
• β: 96.519 ± 0.003°
• γ: 90°
• Cell volume: 2741.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No