Crystallography Open Database

Information card for entry 2103793

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Original IUCr paper	HTML

Structure parameters

Chemical name	bis(Tetra-n-butylammonium) tetrabromo-uranyl
Formula	C32 Br4 N2 O2 U
Calculated formula	C32 H72 Br4 N2 O2 U
SMILES	C(CCC)[N+](CCCC)(CCCC)CCCC.O=[U](Br)(Br)(=O)(Br)Br.C(CCC)[N+](CCCC)(CCCC)CCCC
Title of publication	22 Space-group changes
Authors of publication	Clemente, Dore Augusto; Marzotto, Armando
Journal of publication	Acta Crystallographica Section B
Year of publication	2003
Journal volume	59
Journal issue	1
Pages of publication	43 - 50
a	17.731 ± 0.015 Å
b	14.681 ± 0.015 Å
c	17.08 ± 0.02 Å
α	90°
β	104.8 ± 0.08°
γ	90°
Cell volume	4299 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0106
Residual factor for significantly intense reflections	0.0102
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	0.568
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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