Information card for entry 7029052

Structure parameters

• Formula: C22 H21 N3 O2 Pt
• Calculated formula: C22 H21 N3 O2 Pt
• SMILES: [Pt]12(=c3n(c4c(n3C(C)C)cccc4)c3c2cc(cc3)C#N)OC(=CC(=[O]1)C)C
• Title of publication: Blue phosphorescent nitrile containing C^C* cyclometalated NHC platinum(ii) complexes.
• Authors of publication: Tronnier, Alexander; Metz, Stefan; Wagenblast, Gerhard; Muenster, Ingo; Strassner, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3297 - 3305
• a: 25.953 ± 0.005 Å
• b: 11.773 ± 0.002 Å
• c: 14.429 ± 0.003 Å
• α: 90°
• β: 103.65 ± 0.03°
• γ: 90°
• Cell volume: 4284.2 ± 1.5 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No