Information card for entry 1574160

Structure parameters

• Chemical name: [{N(2,6-iPr-C6H3)}2(CMe)2CH]GaP[As{N(2,6-iPr-C6H3)}2(CH2)2]
• Formula: C55 H79 As Ga N4 P
• Calculated formula: C55 H79 As Ga N4 P
• SMILES: P([As]1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Ga]1N(C(=CC(=[N]1c1c(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: 21.3086 ± 0.0002 Å
• b: 13.9591 ± 0.0001 Å
• c: 20.6685 ± 0.0002 Å
• α: 90°
• β: 118.573 ± 0.002°
• γ: 90°
• Cell volume: 5399.07 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0301
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No