Crystallography Open Database

Information card for entry 1574161

Preview

Coordinates	1574161.cif
Original paper (by DOI)	HTML

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; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.
Journal of publication	Chemical Science
Year of publication	2025
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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
298476 (current)	2025-03-18	cif/ Adding structures of 1574160, 1574161, 1574162, 1574163, 1574164, 1574165, 1574166, 1574167, 1574168, 1574169 via cif-deposit CGI script.	1574161.cif