Information card for entry 4341848

Structure parameters

• Formula: C62 H56 N2 O2 P4 Pt
• Calculated formula: C62 H56 N2 O2 P4 Pt
• SMILES: C1(c2ccncc2)=P(c2ccccc2)(c2ccccc2)[Pt]2([P]1(c1ccccc1)c1ccccc1)P(=C(c1ccncc1)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.OC.OC
• 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: 16.7379 ± 0.0006 Å
• b: 14.9479 ± 0.0007 Å
• c: 23.448 ± 0.0006 Å
• α: 90°
• β: 109.125 ± 0.002°
• γ: 90°
• Cell volume: 5542.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No