Information card for entry 4334846

Structure parameters

• Formula: C40 H34 Cl F10 P3 Pt S2
• Calculated formula: C40 H34 Cl F10 P3 Pt S2
• SMILES: [Pt]1(Cl)([S](CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)[P](CCSc1c(F)c(F)cc(F)c1F)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles
• Authors of publication: Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5876 - 5888
• a: 14.866 ± 0.003 Å
• b: 14.944 ± 0.003 Å
• c: 19.184 ± 0.004 Å
• α: 90°
• β: 107.44 ± 0.005°
• γ: 90°
• Cell volume: 4066 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0222
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No