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Information card for entry 1574168
Preview
Coordinates | 1574168.cif |
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Original paper (by DOI) | HTML |
Chemical name | [(NDipp)2(CMe)2CH]Ga(O2C)2As{[N(2,6-iPr-C6H3)]2(CH2)2} |
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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 Å3 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
300587 (current) | 2025-07-06 | cif/ Updating files of 1574160, 1574161, 1574162, 1574163, 1574164, 1574165, 1574166, 1574167, 1574168, 1574169 Original log message: Adding full bibliography for 1574160--1574169.cif. |
1574168.cif |
298476 | 2025-03-18 | cif/ Adding structures of 1574160, 1574161, 1574162, 1574163, 1574164, 1574165, 1574166, 1574167, 1574168, 1574169 via cif-deposit CGI script. |
1574168.cif |
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Users of the data should acknowledge the original authors of the
structural data.