Crystallography Open Database

Information card for entry 4336530

Preview

Coordinates	4336530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H11 N3 O8 U
Calculated formula	C19 H11 N3 O8 U
SMILES	[U]123(=O)(=O)(OC(=O)c4cc(O)cc(C(=O)O1)[n]34)[n]1cccc3c1c1c(ccc[n]21)cc3.O
Title of publication	Synthesis, Structures, and Properties of Uranyl Hybrids Constructed by a Variety of Mono- and Polycarboxylic Acids
Authors of publication	Weiting Yang; Song Dang; Hao Wang; Tao Tian; Qing-Jiang Pan; Zhong-Ming Sun
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12394 - 12402
a	7.5465 ± 0.001 Å
b	19.876 ± 0.003 Å
c	12.935 ± 0.0017 Å
α	90°
β	100.948 ± 0.002°
γ	90°
Cell volume	1904.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0422
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
179468 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/65.	4336530.cif
102534	2014-02-21	cif/ Adding structures of 4336530 via cif-deposit CGI script.	4336530.cif