Crystallography Open Database

Information card for entry 7247372

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Coordinates	7247372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 N2 O16 U2
Calculated formula	C36 H24 N2 O16 U2
Title of publication	Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination
Authors of publication	Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	40
Pages of publication	5748 - 5758
a	9.7035 ± 0.0006 Å
b	9.714 ± 0.0006 Å
c	10.6933 ± 0.0007 Å
α	79.359 ± 0.004°
β	75.201 ± 0.003°
γ	71.662 ± 0.003°
Cell volume	919.03 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0769
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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