Information card for entry 1576209

Structure parameters

• Formula: C86 H128 Li4 N4 O7 P2
• Calculated formula: C86 H128 Li4 N4 O7 P2
• Title of publication: Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.
• Authors of publication: Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 579 - 584
• a: 12.2271 ± 0.0004 Å
• b: 19.3733 ± 0.0008 Å
• c: 19.2094 ± 0.0008 Å
• α: 90°
• β: 96.632 ± 0.003°
• γ: 90°
• Cell volume: 4519.9 ± 0.3 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• 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: 0.1594
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.2819
• Weighted residual factors for all reflections included in the refinement: 0.3322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No