Information card for entry 4347286

Structure parameters

• Chemical name: Bis[(4-<i>tert</i>-butylphenyl)ethynyl][1-(1-methyethyl)-3-(pyridin-2-yl-κ<i>N</i>)-2,3-dihydro-1H-imidazol-2-yl-κ<i>C</i>^2^] platinum(II)
• Formula: C35 H39 N3 Pt
• Calculated formula: C35 H39 N3 Pt
• SMILES: c1cccc2[n]1[Pt](=C1N2C=CN1C(C)C)(C#Cc1ccc(cc1)C(C)(C)C)C#Cc1ccc(cc1)C(C)(C)C
• 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: 14.8367 ± 0.00012 Å
• b: 14.15225 ± 0.0001 Å
• c: 15.38219 ± 0.00011 Å
• α: 90°
• β: 106.734 ± 0.0008°
• γ: 90°
• Cell volume: 3093.07 ± 0.04 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 K
• Number of distinct elements: 4
• 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: 0.031
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No