Crystallography Open Database

Information card for entry 7246907

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Coordinates	7246907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H64 Cu N6 O22 U2
Calculated formula	C36 H64 Cu N6 O22 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	11.3872 ± 0.0004 Å
b	11.5224 ± 0.0004 Å
c	12.7894 ± 0.0005 Å
α	114.797 ± 0.0013°
β	98.3735 ± 0.0014°
γ	110.77 ± 0.0013°
Cell volume	1335.95 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0206
Residual factor for significantly intense reflections	0.0186
Weighted residual factors for significantly intense reflections	0.0409
Weighted residual factors for all reflections included in the refinement	0.0417
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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