Information card for entry 4518416

Structure parameters

• Formula: C50 H54 N4 Pt
• Calculated formula: C50 H54 N4 Pt
• Title of publication: High-Purity and Saturated Deep-Blue Luminescence from <i>trans</i>-NHC Platinum(II) Butadiyne Complexes: Properties and Organic Light Emitting Diode Application.
• Authors of publication: He, Ru; Xu, Zhengtao; Valandro, Silvano; Arman, Hadi D.; Xue, Jiangeng; Schanze, Kirk S.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• a: 8.0634 ± 0.0003 Å
• b: 9.8616 ± 0.0003 Å
• c: 13.9005 ± 0.0005 Å
• α: 86.075 ± 0.003°
• β: 87.123 ± 0.003°
• γ: 71.255 ± 0.003°
• Cell volume: 1043.79 ± 0.07 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No