Information card for entry 4334848

Structure parameters

• Formula: C81 H78 Cl4 F12 O2 P6 Pt2 S2
• Calculated formula: C81 H78 Cl4 F12 O2 P6 Pt2 S2
• 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: 13.0672 ± 0.0005 Å
• b: 18.0102 ± 0.0007 Å
• c: 18.87 ± 0.0007 Å
• α: 67.441 ± 0.001°
• β: 88.857 ± 0.001°
• γ: 82.232 ± 0.002°
• Cell volume: 4061 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.92 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: 0.037
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No