Information card for entry 4081761

Structure parameters

• Formula: C14 H14 N4 O4 Pt
• Calculated formula: C14 H14 N4 O4 Pt
• SMILES: [Pt]12(=c3n(c4c2cc(N(=O)=O)cc4)cnn3C)OC(=CC(=[O]1)C)C
• Title of publication: Phosphorescent Platinum(II) Complexes Based on C∧C* Cyclometalating Aryltriazol-5-ylidenes
• Authors of publication: Tenne, Mario; Metz, Stefan; Münster, Ingo; Wagenblast, Gerhard; Strassner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6257
• a: 7.619 ± 0.0016 Å
• b: 11.477 ± 0.0009 Å
• c: 16.969 ± 0.003 Å
• α: 90°
• β: 100.464 ± 0.014°
• γ: 90°
• Cell volume: 1459.1 ± 0.4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No