Information card for entry 4336519

Structure parameters

• Formula: C24 H27 N O2 Pt
• Calculated formula: C24 H27 N O2 Pt
• SMILES: c1ccc2c3c4c(cccc4[Pt]4([n]13)OC(=CC(C(C)(C)C)=[O]4)C(C)(C)C)cc2
• 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: 12.6435 ± 0.0006 Å
• b: 12.6465 ± 0.0006 Å
• c: 13.044 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2085.68 ± 0.17 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0288
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No