Information card for entry 4336396

Structure parameters

• Formula: C14 H10 Cl N3 Pt
• Calculated formula: C14 H10 Cl N3 Pt
• SMILES: [Pt]12([n]3c(c4c2cccc4)cccc3n2[n]1ccc2)Cl
• Title of publication: Synthesis, Structure, Photophysics, and a DFT Study of Phosphorescent C*N^N- and C^N^N-Coordinated Platinum Complexes
• Authors of publication: Caleb F. Harris; Dileep A. K. Vezzu; Libero Bartolotti; Paul D. Boyle; Shouquan Huo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11711 - 11722
• a: 7.024 ± 0.002 Å
• b: 11.912 ± 0.007 Å
• c: 14.944 ± 0.005 Å
• α: 90°
• β: 101.095 ± 0.014°
• γ: 90°
• Cell volume: 1227 ± 0.9 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No