Information card for entry 4347287

Structure parameters

• Chemical name: [1-(1-methyethyl)-3-(pyridin-2-yl-κ<i>N</i>)-2,3-dihydro-1<i>H</i>-imidazol-2-yl-κ<i>C</i>^2^][bis(phenylethynyl)] platinum(II)
• Formula: C27 H23 N3 Pt
• Calculated formula: C27 H23 N3 Pt
• SMILES: c1cccc2[n]1[Pt](=C1N2C=CN1C(C)C)(C#Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Tunable and Efficient White Light Phosphorescent Emission Based on Single Component N-Heterocyclic Carbene Platinum(II) Complexes.
• Authors of publication: Bachmann, Michael; Suter, Dominik; Blacque, Olivier; Venkatesan, Koushik
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 4733 - 4745
• a: 10.2144 ± 0.0003 Å
• b: 16.6314 ± 0.0006 Å
• c: 26.3951 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4484 ± 0.2 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No