Information card for entry 1574168

Structure parameters

• Chemical name: [(NDipp)2(CMe)2CH]Ga(O2C)2As{[N(2,6-iPr-C6H3)]2(CH2)2}
• Formula: C57 H79 As Ga N4 O4 P
• Calculated formula: C57 H79 As Ga N4 O4 P
• SMILES: P1([As]2N(CCN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)C(=O)O[Ga]2(OC1=O)[N](=C(C=C(N2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• 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: 16.3651 ± 0.0001 Å
• b: 18.4812 ± 0.0001 Å
• c: 18.6521 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5641.27 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No