Crystallography Open Database

Information card for entry 4513704

Preview

Coordinates	4513704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H25 N6 Na O11 U
Calculated formula	C42 H25 N6 Na O11 U
Title of publication	A Family of Uranyl Coordination Polymers Containing O-Donor Dicarboxylates and Trispyridyltriazine Guests
Authors of publication	Thangavelu, Sonia G.; Cahill, Christopher L.
Journal of publication	Crystal Growth & Design
Year of publication	2016
Journal volume	16
Journal issue	1
Pages of publication	42
a	23.2799 ± 0.001 Å
b	8.1784 ± 0.0004 Å
c	19.5232 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3717.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0181
Residual factor for significantly intense reflections	0.015
Weighted residual factors for significantly intense reflections	0.0347
Weighted residual factors for all reflections included in the refinement	0.0353
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
175771 (current)	2016-02-04	cif/ Updating files of 4513702, 4513703, 4513704, 4513705 Original log message: Adding full bibliography for 4513702--4513705.cif.	4513704.cif
170539	2015-11-26	cif/ Adding structures of 4513702, 4513703, 4513704, 4513705 via cif-deposit CGI script.	4513704.cif