Crystallography Open Database

Information card for entry 1572130

Preview

Coordinates	1572130.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pu(Kläui)Cl3
Chemical name	PuCl3{CoCp[OP(OEt)2]3}
Formula	C17 H35 Cl3 Co O9 P3 Pu
Calculated formula	C17 H35 Cl3 Co O9 P3 Pu
Title of publication	PuCl<sub>3</sub>{CoCp[OP(OEt)<sub>2</sub>]<sub>3</sub>}: transuranic elements entering the field of heterometallic molecular chemistry.
Authors of publication	Shaw, Thomas E.; Jones, Zachary R.; Adelman, Sara L.; Anderson, Nickolas H.; Bowes, Eric G.; Bauer, Eric D.; Dan, David; Klouda, Jan; Knope, Karah E.; Kozimor, Stosh A.; MacInnes, Molly M.; Mocko, Veronika; Rocha, Francisca R.; Root, Harrison D.; Stein, Benjamin W.; Thompson, Joe D.; Wacker, Jennifer N.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	32
Pages of publication	12754 - 12764
a	10.763 ± 0.0016 Å
b	15.914 ± 0.002 Å
c	18.23 ± 0.003 Å
α	90°
β	95.148 ± 0.005°
γ	90°
Cell volume	3109.9 ± 0.8 Å³
Cell temperature	288 ± 2 K
Ambient diffraction temperature	288 ± 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	0.0503
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
294463 (current)	2024-09-06	cif/ Updating files of 1572130 Original log message: Adding full bibliography for 1572130.cif.	1572130.cif
293416	2024-07-16	cif/ Adding structures of 1572130 via cif-deposit CGI script.	1572130.cif