Crystallography Open Database

Information card for entry 7221528

Preview

Coordinates	7221528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H26 Br2 N6 O12 U2
Calculated formula	C46 H26 Br2 N6 O12 U2
Title of publication	Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands
Authors of publication	Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	32
Pages of publication	6236
a	9.3226 ± 0.0009 Å
b	12.5095 ± 0.0012 Å
c	18.7848 ± 0.0018 Å
α	90°
β	94.335 ± 0.002°
γ	90°
Cell volume	2184.4 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0269
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0417
Weighted residual factors for all reflections included in the refinement	0.0436
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7221528.cif
153131	2015-08-08	cif/ Updating files of 7221528, 7221529, 7221530, 7221531, 7221532, 7221533, 7221534 Original log message: Adding full bibliography for 7221528--7221534.cif.	7221528.cif
152017	2015-07-14	cif/ Adding structures of 7221528, 7221529, 7221530, 7221531, 7221532, 7221533, 7221534 via cif-deposit CGI script.	7221528.cif