Crystallography Open Database

Information card for entry 7120065

7120064 << 7120065 >> 7120066

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Structure parameters

Formula	C29 H21 N3 O4 U
Calculated formula	C29 H21 N3 O4 U
SMILES	[U]1234(Oc5c(C=[N]2Cc2[n]3c(C[N]1=Cc1c3c(ccc1O4)cccc3)ccc2)c1c(cc5)cccc1)(=O)=O
Title of publication	An Example of Unusual Pyridine Donor Schiff Base Uranyl (UO22+) Complexes
Authors of publication	Hardy, Emily Elizabeth; Wyss, Kevin M.; Eddy, Madeleine A.; Gorden, Anne E. V.
Journal of publication	Chem. Commun.
Year of publication	2017
a	22.8062 ± 0.001 Å
b	7.2736 ± 0.0003 Å
c	14.7805 ± 0.0006 Å
α	90°
β	97.3343 ± 0.0005°
γ	90°
Cell volume	2431.78 ± 0.18 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180.45 K
Number of distinct elements	5
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	0.0427
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.0836
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
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7120065.cif
195946	2017-05-04	cif/ Adding structures of 7120065, 7120066 via cif-deposit CGI script.	7120065.cif