Information card for entry 4345198

Structure parameters

• Formula: C30 H30 F3 Ir N2 O5 Pt S
• Calculated formula: C30 H27 F3 Ir N2 O5 Pt S
• SMILES: [Pt]12(c3c(c4[n]1cccc4)cccc3)O[c]13[c]4([Ir]56789%10%111([cH]4[cH]5[cH]6[cH]37)[c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)O2.S(=O)(=O)([O-])C(F)(F)F.N#CC
• Title of publication: Luminescent Cyclometalated Platinum Complexes with π-Bonded Catecholate Organometallic Ligands.
• Authors of publication: Moussa, Jamal; Loch, Aruny; Chamoreau, Lise-Marie; Degli Esposti, Alessandra; Bandini, Elisa; Barbieri, Andrea; Amouri, Hani
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 2050 - 2059
• a: 16.2212 ± 0.0003 Å
• b: 8.4377 ± 0.0002 Å
• c: 22.4227 ± 0.0004 Å
• α: 90°
• β: 94.827 ± 0.001°
• γ: 90°
• Cell volume: 3058.1 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No