Crystallography Open Database

Information card for entry 1574163

Preview

Coordinates	1574163.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]CS2}2*3.5pent
Formula	C129.5 H200 As2 Ga2 N8 P2 S4
Calculated formula	C129.5 H200 As2 Ga2 N8 P2 S4
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	18.1433 ± 0.0004 Å
b	18.6339 ± 0.0004 Å
c	20.1323 ± 0.0005 Å
α	77.529 ± 0.002°
β	85.25 ± 0.002°
γ	79.331 ± 0.002°
Cell volume	6524.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	1574163.cif
298476	2025-03-18	cif/ Adding structures of 1574160, 1574161, 1574162, 1574163, 1574164, 1574165, 1574166, 1574167, 1574168, 1574169 via cif-deposit CGI script.	1574163.cif