Information card for entry 4305466

Structure parameters

• Formula: C49 H37 B F20 O2 P2 Pt Si
• Calculated formula: C49 H37 B F20 O2 P2 Pt Si
• SMILES: [Pt]12([P](c3c([Si]2(O)c2ccccc2[P]1(C(C)C)C(C)C)cccc3)(C(C)C)C(C)C)C#[O].[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Silanol-Based Pincer Pt(II) Complexes: Synthesis, Structure, and Unusual Reactivity
• Authors of publication: Edward E. Korshin; Gregory Leitus; Linda J. W. Shimon; Leonid Konstantinovski; David Milstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7177 - 7189
• a: 13.658 ± 0.003 Å
• b: 15.098 ± 0.003 Å
• c: 15.201 ± 0.003 Å
• α: 112.54 ± 0.03°
• β: 94.6 ± 0.03°
• γ: 116.83 ± 0.03°
• Cell volume: 2458.5 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0302
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No