Information card for entry 7033316

Structure parameters

• Formula: C28 H36 N2 O2 Pt Si
• Calculated formula: C28 H36 N2 O2 Pt Si
• SMILES: [Pt]12(=C3N(C=CN3c3c2cc([Si](C)(C)C)cc3)C)OC(=C(C(=[O]1)C)c1c(c(cc(c1C)C)C)C)C
• Title of publication: Blue phosphorescent N-heterocyclic carbene chelated Pt(ii) complexes with an α-duryl-β-diketonato ancillary ligand.
• Authors of publication: Ko, Soo-Byung; Park, Hee-Jun; Gong, Shaolong; Wang, Xiang; Lu, Zheng-Hong; Wang, Suning
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 8433 - 8443
• a: 24.1524 ± 0.0008 Å
• b: 13.0815 ± 0.0004 Å
• c: 27.3864 ± 0.0009 Å
• α: 90°
• β: 101.612 ± 0.002°
• γ: 90°
• Cell volume: 8475.6 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No