Information card for entry 4334854

Structure parameters

• Formula: C68 H56 B4 F24 P4 Pt2 S4
• Calculated formula: C68 H56 B4 F24 P4 Pt2 S4
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CC[S]2[Pt]31[P](c1ccccc1)(CC[S]3c1c(F)c(F)c([S]3CC[P](c4ccccc4)(c4ccccc4)[Pt]43[P](c3ccccc3)(c3ccccc3)CC[S]4c3c(F)c(F)c2c(F)c3F)c(F)c1F)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](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: 13.9615 ± 0.0004 Å
• b: 15.6257 ± 0.0004 Å
• c: 17.9547 ± 0.0005 Å
• α: 90°
• β: 110.244 ± 0.001°
• γ: 90°
• Cell volume: 3675 ± 0.18 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No