Information card for entry 4086311

Structure parameters

• Formula: C30 H21 N3 O3 Pt
• Calculated formula: C30 H21 N3 O3 Pt
• SMILES: [Pt]12(=c3n(cnn3c3c2cc2oc4c(c2c3)cccc4)C)OC(=CC(=[O]1)c1ccccc1)c1ccccc1
• Title of publication: C∧C* Cyclometalated Platinum(II) Complexes with Dibenzofuranyl-1,2,4-triazol-5-ylidene Ligands: Synthesis, Characterization, and Photoluminescent Properties
• Authors of publication: Tenne, Mario; Metz, Stefan; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4433
• a: 12.95 ± 0.0013 Å
• b: 7.47 ± 0.0014 Å
• c: 25.877 ± 0.004 Å
• α: 90°
• β: 108.503 ± 0.013°
• γ: 90°
• Cell volume: 2373.8 ± 0.6 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: 0.064
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No