Crystallography Open Database

Information card for entry 7246908

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Coordinates	7246908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H46 Cu N6 O23 U2
Calculated formula	C40 H44 Cu N6 O23 U2
Title of publication	Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization
Authors of publication	Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	27
Pages of publication	3904 - 3915
a	12.4847 ± 0.0007 Å
b	17.0888 ± 0.0011 Å
c	23.5455 ± 0.0016 Å
α	90°
β	103.131 ± 0.002°
γ	90°
Cell volume	4892.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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