Crystallography Open Database

Information card for entry 4513703

Preview

Coordinates	4513703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H28 N12 O8 U
Calculated formula	C44 H28 N12 O8 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	7.4226 ± 0.0007 Å
b	8.8963 ± 0.0009 Å
c	14.8043 ± 0.0015 Å
α	93.345 ± 0.001°
β	94.804 ± 0.001°
γ	91.285 ± 0.001°
Cell volume	972.12 ± 0.17 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	0.0168
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0444
Weighted residual factors for all reflections included in the refinement	0.0444
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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.	4513703.cif
170539	2015-11-26	cif/ Adding structures of 4513702, 4513703, 4513704, 4513705 via cif-deposit CGI script.	4513703.cif