Crystallography Open Database

Information card for entry 4333894

Preview

Structure parameters

Formula	C27 H17 N3 O6 U
Calculated formula	C27 H17 N3 O6 U
Title of publication	Synthesis, Structures, and Luminescent Properties of Uranyl Terpyridine Aromatic Carboxylate Coordination Polymers
Authors of publication	Sonia G. Thangavelu; Michael B. Andrews; Simon J.A. Pope; Christopher L. Cahill
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2060 - 2069
a	8.9758 ± 0.0007 Å
b	11.3079 ± 0.0008 Å
c	12.2348 ± 0.0009 Å
α	78.455 ± 0.001°
β	81.245 ± 0.001°
γ	67.119 ± 0.001°
Cell volume	1117.13 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4333894.cif
179441	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 4/33/38.	4333894.cif
99702	2014-02-03	cif/ Adding structures of 4333894 via cif-deposit CGI script.	4333894.cif