Information card for entry 4341847

Structure parameters

• Formula: C56 H50 B2 F8 N2 O2 P4 Pt
• Calculated formula: C56 H50 B2 F8 N2 O2 P4 Pt
• SMILES: [B](F)(F)(F)[F-].c1ccc([P]2(c3ccccc3)[Pt]3([P](C2=C2NCCO2)(c2ccccc2)c2ccccc2)[P](C(=C2NCCO2)[P]3(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[B](F)(F)(F)[F-]
• Title of publication: Synthesis, Structure, and Optical Properties of Pt(II) and Pd(II) Complexes with Oxazolyl- and Pyridyl-Functionalized DPPM-Type Ligands: A Combined Experimental and Theoretical Study.
• Authors of publication: Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre; De Cola, Luisa; Plummer, Edward; Mauro, Matteo; Gourlaouen, Christophe; Daniel, Chantal
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141124111704004
• a: 9.3583 ± 0.0003 Å
• b: 22.5243 ± 0.0008 Å
• c: 12.3493 ± 0.0002 Å
• α: 90°
• β: 91.462 ± 0.002°
• γ: 90°
• Cell volume: 2602.25 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No