Information card for entry 1574161

Structure parameters

• Chemical name: [{N(2,6-iPr-C6H3)}2(CMe)2CH]Ga[OCN(Mes)]PAs[{N(2,6-iPr-C6H3)}2(CH2)2]*0.5hex0.5C6H6
• Formula: C68 H93 As Ga N5 O P
• Calculated formula: C68 H93 As Ga N5 O P
• Title of publication: Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes
• Authors of publication: Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 7397 - 7410
• a: 12.2864 ± 0.0002 Å
• b: 25.6905 ± 0.0003 Å
• c: 20.8532 ± 0.0002 Å
• α: 90°
• β: 92.473 ± 0.001°
• γ: 90°
• Cell volume: 6576.05 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No