Information card for entry 4518415

Structure parameters

• Formula: C44 H62 N4 Pt Si2
• Calculated formula: C44 H62 N4 Pt Si2
• 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: 17.9772 ± 0.0007 Å
• b: 7.2344 ± 0.0002 Å
• c: 19.3786 ± 0.0007 Å
• α: 90°
• β: 115.013 ± 0.005°
• γ: 90°
• Cell volume: 2283.9 ± 0.17 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No