Information card for entry 4334853

Structure parameters

• Formula: C76 H76 Cl4 F8 O2 P4 Pt2 S4
• Calculated formula: C76 H76 Cl4 F8 O2 P4 Pt2 S4
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CCSc2c(F)c(F)c(SCC[P](c3ccccc3)(c3ccccc3)[Pt]([P](c3ccccc3)(c3ccccc3)CCSc3c(F)c(F)c(SCC[P]([Pt]1(Cl)Cl)(c1ccccc1)c1ccccc1)c(F)c3F)(Cl)Cl)c(c2F)F.O(CC)CC.O(CC)CC
• 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: 10.462 ± 0.0007 Å
• b: 12.1271 ± 0.0008 Å
• c: 16.5965 ± 0.001 Å
• α: 72.17 ± 0.003°
• β: 89.901 ± 0.003°
• γ: 65.329 ± 0.003°
• Cell volume: 1802.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No