Information card for entry 7234627

Structure parameters

• Formula: C12 H6 F2 N2
• Calculated formula: C12 H6 F2 N2
• SMILES: N#Cc1nc(ccc1)c1c(F)cc(F)cc1
• Title of publication: Colour-tunable asymmetric cyclometalated Pt(ii) complexes and STM-assisted stability assessment of ancillary ligands for OLEDs
• Authors of publication: Jan Sanning; Linda Stegemann; Pascal R. Ewen; Christian Schwermann; Constantin G. Daniliuc; Dongdong Zhang; Na Lin; Lian Duan; Daniel Wegner; Nikos L. Doltsinis; Cristian A. Strassert
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 2560 - 2565
• a: 24.0158 ± 0.001 Å
• b: 3.6946 ± 0.0001 Å
• c: 24.1833 ± 0.0008 Å
• α: 90°
• β: 117.592 ± 0.001°
• γ: 90°
• Cell volume: 1901.71 ± 0.11 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 4
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No