Information card for entry 4338776

Structure parameters

• Formula: C27 H30.5 B F4 N2.5 O3 Pt Ru
• Calculated formula: C27 H27 B F4 N2.5 O3 Pt Ru
• 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: 10.5774 ± 0.0002 Å
• b: 11.8718 ± 0.0002 Å
• c: 13.909 ± 0.0004 Å
• α: 107.132 ± 0.001°
• β: 95.78 ± 0.001°
• γ: 114.127 ± 0.001°
• Cell volume: 1473.51 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No