Crystallography Open Database

Information card for entry 4344042

Preview

Coordinates	4344042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 N6 Ni O22 U2
Calculated formula	C72 H57 N6 Ni O22 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	26.3865 ± 0.0006 Å
b	26.3865 ± 0.0006 Å
c	47.5157 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	33082.7 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	120
Hermann-Mauguin space group symbol	I -4 c 2
Hall space group symbol	I -4 -2c
Residual factor for all reflections	0.0747
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
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.	4344042.cif
152759	2015-08-05	cif/ Adding structures of 4344038, 4344039, 4344040, 4344041, 4344042, 4344043 via cif-deposit CGI script.	4344042.cif