Crystallography Open Database

Information card for entry 4134697

Preview

Coordinates	4134697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H131 N17 P4 U
Calculated formula	C69 H131 N17 P4 U
Title of publication	Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.
Authors of publication	Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	16
Pages of publication	7368 - 7373
a	14.9753 ± 0.0017 Å
b	22.266 ± 0.003 Å
c	47.714 ± 0.006 Å
α	90°
β	97.018 ± 0.005°
γ	90°
Cell volume	15791 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
251462 (current)	2020-05-04	cif/ Updating files of 4134695, 4134696, 4134697 Original log message: Adding full bibliography for 4134695--4134697.cif.	4134697.cif
250723	2020-04-14	cif/ Adding structures of 4134697 via cif-deposit CGI script.	4134697.cif