Information card for entry 1514647

Structure parameters

• Formula: C20 H14 Cl2 F2 N4 O2 Pt
• Calculated formula: C20 H14 Cl2 F2 N4 O2 Pt
• SMILES: [Pt]123=C4N(C=CN4CN4C=3N(c3c(O2)ccc(F)c3)C=C4)c2c(O1)ccc(F)c2.ClCCl
• Title of publication: Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors
• Authors of publication: Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 2630
• a: 11.5589 ± 0.0009 Å
• b: 8.2655 ± 0.0007 Å
• c: 22.3063 ± 0.0015 Å
• α: 90°
• β: 111.907 ± 0.004°
• γ: 90°
• Cell volume: 1977.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2267
• Weighted residual factors for all reflections included in the refinement: 0.2377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No