Crystallography Open Database

Information card for entry 1574165

Preview

Coordinates	1574165.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(NDipp)2(CMe)2CH]Ga(CS2)PP[{N(2,6-iPr-C6H3)}2(CH2)2]*2hex
Formula	C68 H107 Ga N4 P2 S2
Calculated formula	C68 H107 Ga N4 P2 S2
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	15.3228 ± 0.0001 Å
b	14.2179 ± 0.0001 Å
c	15.4652 ± 0.0001 Å
α	90°
β	92.946 ± 0.001°
γ	90°
Cell volume	3364.77 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0641
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
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.	1574165.cif
298476	2025-03-18	cif/ Adding structures of 1574160, 1574161, 1574162, 1574163, 1574164, 1574165, 1574166, 1574167, 1574168, 1574169 via cif-deposit CGI script.	1574165.cif