Information card for entry 4118545

Structure parameters

• Formula: C33 H37 B N2 O2 Pt
• Calculated formula: C33 H37 B N2 O2 Pt
• SMILES: [Pt]12(=C3N(C)C=CN3c3c2ccc(B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)c3)OC(=CC(=[O]1)C)C
• Title of publication: Highly Efficient Blue Phosphorescence from Triarylboron-Functionalized Platinum(II) Complexes of N-Heterocyclic Carbenes
• Authors of publication: Zachary M. Hudson; Christina Sun; Michael G. Helander; Yi-Lu Chang; Zheng-Hong Lu; Suning Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 13930 - 13933
• a: 17.45 ± 0.003 Å
• b: 12.563 ± 0.002 Å
• c: 13.497 ± 0.002 Å
• α: 90°
• β: 97.853 ± 0.003°
• γ: 90°
• Cell volume: 2931.1 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.175
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No