Information card for entry 4081759

Structure parameters

• Formula: C14 H14 Cl N3 O2 Pt
• Calculated formula: C14 H14 Cl N3 O2 Pt
• SMILES: [Pt]12(=c3n(ncn3c3c2cc(Cl)cc3)C)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: 7.317 ± 0.0011 Å
• b: 12.159 ± 0.0012 Å
• c: 16.606 ± 0.002 Å
• α: 90°
• β: 98.491 ± 0.01°
• γ: 90°
• Cell volume: 1461.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No