Crystallography Open Database

Information card for entry 7247373

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Coordinates	7247373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H90 N8 O54 U5
Calculated formula	C72 H86 N8 O54 U5
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	11.3984 ± 0.0003 Å
b	11.401 ± 0.0004 Å
c	21.9898 ± 0.0009 Å
α	88.8056 ± 0.0015°
β	79.8563 ± 0.0013°
γ	60.8371 ± 0.001°
Cell volume	2449.37 ± 0.15 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	0.0287
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0515
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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