Crystallography Open Database

Information card for entry 7718312

Preview

Coordinates	7718312.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	15.7347 ± 0.001 Å
b	10.8087 ± 0.0007 Å
c	19.31 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3284.1 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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.	7718312.cif