Crystallography Open Database

Information card for entry 1573428

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Coordinates	1573428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H69 N10 O14 P S2 U3
Calculated formula	C55 H69 N10 O14 P S2 U3
Title of publication	Uranium-Mediated Thiourea/Urea Conversion on Chelating Ligands
Authors of publication	Noufele, Christelle Njiki; Roca Jungfer, Maximilian; Hagenbach, Adelheid; Nguyen, Hung Huy; Abram, Ulrich
Journal of publication	Inorganics
Year of publication	2024
Journal volume	12
Journal issue	11
Pages of publication	295
a	12.752 ± 0.001 Å
b	18.341 ± 0.001 Å
c	28.125 ± 0.002 Å
α	90°
β	103.02 ± 0.003°
γ	90°
Cell volume	6408.9 ± 0.8 Å³
Cell temperature	203.15 K
Ambient diffraction temperature	203.15 K
Number of distinct elements	7
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	0.0682
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	0.864
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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