Information card for entry 4335823

Structure parameters

• Formula: C28 H44 P2 S2 Zn
• Calculated formula: C28 H44 P2 S2 Zn
• SMILES: c12ccccc1S[Zn]1([P]2(C(C)(C)C)C(C)(C)C)[P](c2ccccc2S1)(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: 26.861 ± 0.002 Å
• b: 8.0179 ± 0.0007 Å
• c: 15.728 ± 0.0013 Å
• α: 90°
• β: 122.853 ± 0.005°
• γ: 90°
• Cell volume: 2845.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0749
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No