Information card for entry 1550140

Structure parameters

• Formula: C25 H21 F2 N O2 Pt
• Calculated formula: C25 H21 F2 N O2 Pt
• SMILES: [Pt]12(c3c(c4[n]2cccc4)c(F)cc(F)c3)OC(=C(C(=[O]1)C)Cc1ccc(cc1)C=C)C
• Title of publication: An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP
• Authors of publication: Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M.
• Journal of publication: Polymer Chemistry
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 45
• Pages of publication: 5418
• a: 27.0937 ± 0.0013 Å
• b: 11.3331 ± 0.0006 Å
• c: 6.7354 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2068.14 ± 0.17 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No