Crystallography Open Database

Information card for entry 7130511

Preview

Coordinates	7130511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H55 B2 N12 P U
Calculated formula	C39 H55 B2 N12 P U
SMILES	[U]1234(Pc5c(C)cc(cc5C)C)([n]5n(c(cc5C)C)[BH](n5[n]1c(C)cc5C)n1[n]2c(C)cc1C)[n]1n(c(cc1C)C)[BH](n1[n]3c(cc1C)C)n1[n]4c(cc1C)C
Title of publication	Isolation of uranium(iii) primary phosphido complexes
Authors of publication	Perales, Diana; Bhowmick, Rina; Zeller, Matthias; Miro, Pere; Vlaisavljevich, Bess; Bart, Suzanne C.
Journal of publication	Chemical Communications
Year of publication	2022
a	10.9713 ± 0.0008 Å
b	11.9909 ± 0.0011 Å
c	17.0052 ± 0.0012 Å
α	78.759 ± 0.005°
β	75.724 ± 0.004°
γ	86.939 ± 0.005°
Cell volume	2126.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277206 (current)	2022-08-12	cif/ Adding structures of 7130509, 7130510, 7130511, 7130512 via cif-deposit CGI script.	7130511.cif