Information card for entry 4335825

Structure parameters

• Formula: C28 H44 P2 S2 Sn
• Calculated formula: C28 H44 P2 S2 Sn
• SMILES: [Sn]12([P](c3c(S1)cccc3)(C(C)(C)C)C(C)(C)C)[P](c1c(S2)cccc1)(C(C)(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: 16.1027 ± 0.0007 Å
• b: 12.315 ± 0.0006 Å
• c: 15.6403 ± 0.0008 Å
• α: 90°
• β: 103.027 ± 0.003°
• γ: 90°
• Cell volume: 3021.7 ± 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: 0.0895
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No