Information card for entry 7223157

Structure parameters

• Formula: C48 H38 Ag B Cl6 F4 N2 O P2
• Calculated formula: C48 H38 Ag B Cl6 F4 N2 O P2
• SMILES: [Ag]12([P](c3c(cccc3)Oc3c(cccc3)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccccc1c1cccc[n]21.[B](F)(F)(F)[F-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: First light-emitting electrochemical cell with [Ag(i)(N^N)(P^P)] type complex
• Authors of publication: Moudam, Omar; Tsipis, Athanassios C.; Kommanaboyina, Srikanth; Horton, Peter N.; Coles, Simon J.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 115
• Pages of publication: 95047
• a: 9.556 ± 0.0007 Å
• b: 13.9607 ± 0.001 Å
• c: 19.49 ± 0.0014 Å
• α: 109.126 ± 0.006°
• β: 91.419 ± 0.005°
• γ: 95.515 ± 0.005°
• Cell volume: 2440.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No