Information card for entry 4338774

Structure parameters

• Formula: C28 H30 B2 F8 Ir N3 O2 Pt
• Calculated formula: C28 H30 B2 F8 Ir N3 O2 Pt
• Title of publication: Tuning Excited States of Bipyridyl Platinum(II) Chromophores with π-Bonded Catecholate Organometallic Ligands: Synthesis, Structures, TD-DFT Calculations, and Photophysical Properties.
• Authors of publication: Moussa, Jamal; Chamoreau, Lise-Marie; Degli Esposti, Alessandra; Gullo, Maria Pia; Barbieri, Andrea; Amouri, Hani
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6624 - 6633
• a: 11.3386 ± 0.001 Å
• b: 14.8046 ± 0.0009 Å
• c: 18.295 ± 0.0014 Å
• α: 90°
• β: 91.291 ± 0.006°
• γ: 90°
• Cell volume: 3070.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No