Information card for entry 7103518

Structure parameters

• Formula: C50 H36 B F20 P Pt S
• Calculated formula: C50 H36 B F20 P Pt S
• SMILES: [Pt]123([S](C4=C([P]1(C(C)C)C(C)C)c1ccccc1C4)C(C)(C)C)C[c]12cccc[cH]31.Fc1c(c(F)c(F)c(F)c1F)[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
• Title of publication: (kappa(2)-P,S)Pt(benzyl) complexes derived from 1/3-P(i)Pr(2)-2-S(t)Bu-indene: facile synthesis of carbanion- and borate-containing zwitterions.
• Authors of publication: Hesp, Kevin D; McDonald, Robert; Ferguson, Michael J; Schatte, Gabriele; Stradiotto, Mark
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5645 - 5647
• a: 17.6907 ± 0.0018 Å
• b: 17.3368 ± 0.0018 Å
• c: 17.7636 ± 0.0018 Å
• α: 90°
• β: 117.928 ± 0.001°
• γ: 90°
• Cell volume: 4813.6 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0934
• 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