Information card for entry 1550139

Structure parameters

• Formula: C29 H25 N O2 Pt
• Calculated formula: C29 H25 N O2 Pt
• SMILES: [Pt]12(c3ccccc3c3[n]2ccc2c3cccc2)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: 46.3286 ± 0.0019 Å
• b: 5.1027 ± 0.0002 Å
• c: 20.9343 ± 0.0009 Å
• α: 90°
• β: 114.049 ± 0.002°
• γ: 90°
• Cell volume: 4519.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No