Crystallography Open Database

Information card for entry 4343411

Preview

Coordinates	4343411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Cu O12 U
Calculated formula	C16 H8 Cu O12 U
Title of publication	Uranyl Ion Complexes with 1,1'-Biphenyl-2,2',6,6'-tetracarboxylic Acid: Structural and Spectroscopic Studies of One- to Three-Dimensional Assemblies.
Authors of publication	Thuéry, Pierre; Harrowfield, Jack
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	13
Pages of publication	6296 - 6305
a	16.1517 ± 0.0005 Å
b	15.3424 ± 0.0004 Å
c	16.5323 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4096.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1675
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
154600 (current)	2015-09-06	cif/ Updating files of 4343408, 4343409, 4343410, 4343411, 4343412, 4343413 Original log message: Adding full bibliography for 4343408--4343413.cif.	4343411.cif
139515	2015-06-24	cif/ Adding structures of 4343408, 4343409, 4343410, 4343411, 4343412, 4343413 via cif-deposit CGI script.	4343411.cif