Information card for entry 4336520

Structure parameters

• Formula: C28 H29 N O2 Pt
• Calculated formula: C28 H29 N O2 Pt
• SMILES: [Pt]12(c3cccc4c5ccccc5c5ccc[n]1c5c34)OC(=CC(=[O]2)C(C)(C)C)C(C)(C)C
• Title of publication: Photophysical Properties of Cyclometalated Pt(II) Complexes: Counterintuitive Blue Shift in Emission with an Expanded Ligand π System
• Authors of publication: Alberto Bossi; Andreas F. Rausch; Markus J. Leitl; Rafał Czerwieniec; Matthew T. Whited; Peter I. Djurovich; Hartmut Yersin; Mark E. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12403 - 12415
• a: 26.538 ± 0.008 Å
• b: 13.985 ± 0.004 Å
• c: 12.769 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4739 ± 2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No