Crystallography Open Database

Information card for entry 1574169

Preview

Coordinates	1574169.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[{N(2,6-iPr-C6H3)}2(CMe)2CH]GaP[As{N(2,6-iPr-C6H3)}2(CH2)2]
Formula	C63 H87 As Ga N4 O P S
Calculated formula	C63 H87 As Ga N4 O P S
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	26.5128 ± 0.0016 Å
b	13.4752 ± 0.0007 Å
c	33.7623 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	12062.1 ± 1.2 Å³
Cell temperature	175 ± 2 K
Ambient diffraction temperature	175 ± 2 K
Number of distinct elements	8
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	0.0305
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1574169.cif
298476	2025-03-18	cif/ Adding structures of 1574160, 1574161, 1574162, 1574163, 1574164, 1574165, 1574166, 1574167, 1574168, 1574169 via cif-deposit CGI script.	1574169.cif