Crystallography Open Database

Information card for entry 7718313

Preview

Coordinates	7718313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 Ca F6 N3 O13 S2 U
Calculated formula	C25 H27 Ca F6 N3 O13 S2 U
Title of publication	Macrocyclic Control of Electron Transfer to High Valent Uranium in Heterobimetallic Complexes
Authors of publication	Kumar, Amit; Golwankar, Riddhi; Pyrch, Mikaela; Cooper, Fynn; Arehart, Grant; Carter, Korey Prescott; Oliver, Allen Grayson; Day, Victor W.; Forbes, Tori; Blakemore, James
Journal of publication	Dalton Transactions
Year of publication	2025
a	12.2866 ± 0.0008 Å
b	18.0256 ± 0.0012 Å
c	15.5245 ± 0.001 Å
α	90°
β	106.773 ± 0.002°
γ	90°
Cell volume	3292 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
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	0.0652
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
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
298420 (current)	2025-03-13	cif/ Adding structures of 7718311, 7718312, 7718313, 7718314, 7718315, 7718316, 7718317, 7718318, 7718319, 7718320 via cif-deposit CGI script.	7718313.cif