Crystallography Open Database

Information card for entry 7246906

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Coordinates	7246906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H46 N6 Ni O23 U2
Calculated formula	C40 H44 N6 Ni 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	12.4106 ± 0.0007 Å
b	17.241 ± 0.0009 Å
c	23.5189 ± 0.0014 Å
α	90°
β	102.782 ± 0.002°
γ	90°
Cell volume	4907.7 ± 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	0.0373
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0934
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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