Information card for entry 7028860

Structure parameters

• Formula: C16 H14 Br2 F6 N2 O2 Pt
• Calculated formula: C16 H14 Br2 F6 N2 O2 Pt
• SMILES: [Pt]1([n]2c(c3[n]1cc(cc3)COCC(F)(F)F)ccc(c2)COCC(F)(F)F)(Br)Br
• Title of publication: Structure and emission studies of dimorphic crystals of [PtBr2(5,5'-bis(CF3CH2OCH2)-2,2'-bpy)] (1).
• Authors of publication: Lu, Norman; Hight, Lauren M.; McMillin, David R.; Jhuo, Jyun-Wei; Chung, Wei-Cheng; Lin, Kwan-Yu; Wen, Yuh-Sheng; Liu, Ling-Kang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2112 - 2119
• a: 7.1269 ± 0.0002 Å
• b: 9.2336 ± 0.0002 Å
• c: 15.9319 ± 0.0005 Å
• α: 95.597 ± 0.001°
• β: 102.619 ± 0.001°
• γ: 94.175 ± 0.001°
• Cell volume: 1013.43 ± 0.05 ų
• Cell temperature: 250 ± 0.1 K
• Ambient diffraction temperature: 250 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No