Information card for entry 4076320

Structure parameters

• Formula: C20 H25 Br N4 Pt
• Calculated formula: C20 H25 Br N4 Pt
• Title of publication: Synthesis, Air Stability, Photobleaching, and DFT Modeling of Blue Light Emitting Platinum CCC-N-Heterocyclic Carbene Pincer Complexes
• Authors of publication: Zhang, Xiaofei; Wright, Ashley M.; DeYonker, Nathan J.; Hollis, T. Keith; Hammer, Nathan I.; Webster, Charles Edwin; Valente, Edward J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1664
• a: 10.314 ± 0.0001 Å
• b: 11.1814 ± 0.0002 Å
• c: 16.9083 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1949.95 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No