Crystallography Open Database

Information card for entry 4333891

Preview

Coordinates	4333891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H14 Cl N3 O7 S U
Calculated formula	C21 H14 Cl N3 O7 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	11.0786 ± 0.0016 Å
b	12.12 ± 0.0018 Å
c	16.164 ± 0.002 Å
α	90°
β	97.958 ± 0.002°
γ	90°
Cell volume	2149.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0503
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	4333891.cif
99699	2014-02-03	cif/ Adding structures of 4333891 via cif-deposit CGI script.	4333891.cif