Information card for entry 7033315

Structure parameters

• Formula: C26 H32 N2 O3 Pt
• Calculated formula: C26 H32 N2 O3 Pt
• SMILES: [Pt]12(=C3N(C=CN3C)c3c2cccc3)OC(=C(C(=[O]1)C)c1c(c(cc(c1C)C)C)C)C.OC
• 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: 8.5714 ± 0.0011 Å
• b: 10.4125 ± 0.0013 Å
• c: 14.2062 ± 0.0018 Å
• α: 77.81 ± 0.001°
• β: 78.493 ± 0.001°
• γ: 82.488 ± 0.001°
• Cell volume: 1209.2 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No