Information card for entry 4118544

Structure parameters

• Formula: C33 H37 B N2 O2 Pt
• Calculated formula: C33 H37 B N2 O2 Pt
• SMILES: [Pt]12(=C3N(C=CN3C)c3ccc(B(c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)cc23)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: 8.136 ± 0.002 Å
• b: 11.03 ± 0.003 Å
• c: 17.118 ± 0.004 Å
• α: 103.888 ± 0.003°
• β: 90.285 ± 0.003°
• γ: 101.735 ± 0.003°
• Cell volume: 1457.8 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No