Crystallography Open Database

Information card for entry 4346575

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Structure parameters

Formula	C4 H14 N6 O18 S2 U2
Calculated formula	C4 H14 N6 O18 S2 U2
SMILES	C1(=[O][U]2(=O)(=O)(OS(=O)(=O)O[U]3(=O)(=O)(OS(=O)(=O)O2)([O]=C(N)NC(N)=[O]3)[OH2])([O]=C(N1)N)[OH2])N
Title of publication	Isolation of Uranyl Dicyanamide Complexes from N-Donor Ionic Liquids.
Authors of publication	Kelley, Steven P.; Rogers, Robin D.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	21
Pages of publication	10323 - 10334
a	7.9627 ± 0.0002 Å
b	10.9246 ± 0.0003 Å
c	10.912 ± 0.0003 Å
α	90°
β	90.037 ± 0.001°
γ	90°
Cell volume	949.23 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.0202
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	1.2
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4346575.cif
231853	2019-11-23	cif/ Adding structures of 4346572, 4346573, 4346574, 4346575 via cif-deposit CGI script.	4346575.cif