Crystallography Open Database

Information card for entry 4344043

Preview

Coordinates	4344043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H56 N6 Ni O20 U2
Calculated formula	C78 H48 N6 Ni O20 U2
Title of publication	Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks.
Authors of publication	Thuéry, Pierre; Harrowfield, Jack
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	16
Pages of publication	8093 - 8102
a	32.8519 ± 0.0012 Å
b	44.1088 ± 0.0012 Å
c	46.172 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	66906 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1593
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
160494 (current)	2015-10-06	cif/ Updating files of 4344038, 4344039, 4344040, 4344041, 4344042, 4344043 Original log message: Adding full bibliography for 4344038--4344043.cif.	4344043.cif
152759	2015-08-05	cif/ Adding structures of 4344038, 4344039, 4344040, 4344041, 4344042, 4344043 via cif-deposit CGI script.	4344043.cif