Information card for entry 4082287

Structure parameters

• Formula: C12 H16 Cl F N2 Pt
• Calculated formula: C12 H16 Cl F N2 Pt
• SMILES: [Pt]12(c3cc(F)ccc3C=[N]1CCC[N]2(C)C)Cl
• Title of publication: Platinum(II) Compounds Containing Cyclometalated Tridentate Ligands: Synthesis, Luminescence Studies, and a Selective Fluoro for Methoxy Substitution
• Authors of publication: Gandioso, Albert; Valle-Sistac, Jennifer; Rodr\?íguez, Laura; Crespo, Margarita; Font-Bard\?ía, Mercè
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 561
• a: 8.8441 ± 0.0004 Å
• b: 40.152 ± 0.002 Å
• c: 29.1849 ± 0.0016 Å
• α: 90°
• β: 93.599 ± 0.002°
• γ: 90°
• Cell volume: 10343.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No