Crystallography Open Database

Information card for entry 7248840

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Coordinates	7248840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H48 N4 O26 U4
Calculated formula	C40 H48 N4 O26 U4
Title of publication	4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes
Authors of publication	ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre
Journal of publication	CrystEngComm
Year of publication	2024
a	8.3349 ± 0.0003 Å
b	12.2484 ± 0.0003 Å
c	24.361 ± 0.0008 Å
α	90°
β	94.5772 ± 0.0015°
γ	90°
Cell volume	2479.06 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0291
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	1.336
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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