Crystallography Open Database

Information card for entry 7247371

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Coordinates	7247371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 N2 O24 U4
Calculated formula	C34 H32 N2 O24 U4
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	11.6695 ± 0.0004 Å
b	12.5806 ± 0.0005 Å
c	14.2442 ± 0.0004 Å
α	87.165 ± 0.0013°
β	88.3831 ± 0.0012°
γ	84.6902 ± 0.0015°
Cell volume	2079.07 ± 0.12 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	0.0229
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0521
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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