Crystallography Open Database

Information card for entry 4333890

Preview

Coordinates	4333890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H13 N3 O6 S U
Calculated formula	C21 H13 N3 O6 S 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	9.5824 ± 0.0003 Å
b	13.5216 ± 0.0005 Å
c	16.2164 ± 0.0005 Å
α	90°
β	102.032 ± 0.001°
γ	90°
Cell volume	2054.99 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0406
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
179441 (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 4/33/38.	4333890.cif
99698	2014-02-03	cif/ Adding structures of 4333890 via cif-deposit CGI script.	4333890.cif